[ CAS No. 5983-09-5 ] {[proInfo.proName]}

Name: 5983-09-5|1-((2R,5S)-5-(Hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione|95%
Brand: Ambeed
SKU: A367116
Price: 31.0 USD
Availability: InStock
Rating: 99 (25 reviews)

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Cat. No.: {[proInfo.prAm]}

2D 3D

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Quality Control of [ 5983-09-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 5983-09-5 ]

SDS Specification

Alternatived Products of [ 5983-09-5 ]

Product Details of [ 5983-09-5 ]

CAS No. :	5983-09-5	MDL No. :	MFCD00013359
Formula :	C₉H₁₂N₂O₄	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BTOTXLJHDSNXMW-POYBYMJQSA-N
M.W :	212.20	Pubchem ID :	65161
Synonyms :	2′,3′-Dideoxyuridine;ddU

Calculated chemistry of [ 5983-09-5 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.56
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	2.0
Molar Refractivity :	51.95
TPSA :	84.32 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-8.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.39
Log Po/w (XLOGP3) :	-0.89
Log Po/w (WLOGP) :	-1.12
Log Po/w (MLOGP) :	-1.06
Log Po/w (SILICOS-IT) :	0.39
Consensus Log Po/w :	-0.26

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-0.76
Solubility :	37.0 mg/ml ; 0.174 mol/l
Class :	Very soluble
Log S (Ali) :	-0.4
Solubility :	84.8 mg/ml ; 0.4 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.87
Solubility :	28.8 mg/ml ; 0.136 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.18

Safety of [ 5983-09-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 5983-09-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 5983-09-5 ]

[ 5983-09-5 ] Synthesis Path-Downstream 1~88

1
[ 767-69-1 ]
[ 5983-09-5 ]
[ 132194-25-3 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 1606 - 1612

2
[ 452-06-2 ]
[ 5983-09-5 ]
[ 107550-74-3 ]

Reference： [1]Journal of Medicinal Chemistry,1991,vol. 34,p. 1606 - 1612

3
[ 81336-71-2 ]
[ 5983-09-5 ]
2',3'-dideoxyuridine 5'-α-P-borano-β,γ-(difluoromethylene)triphosphate [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2005,vol. 48,p. 2695 - 2700

4
[ 7481-89-2 ]
[ 5983-09-5 ]

Reference： [1]Chemistry of Natural Compounds,2006,vol. 42,p. 208 - 211

5
[ 5983-09-5 ]
[ 117605-34-2 ]

Reference： [1]Chemistry of Natural Compounds,2006,vol. 42,p. 208 - 211

6
[ 5983-09-5 ]
[ 245078-14-2 ]
(S)-ethyl 2-((((2S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 3666 - 3669

7
[ 220592-63-2 ]
[ 5983-09-5 ]
(S)-tert-butyl 2-((((2S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 3666 - 3669

8
[ 906670-24-4 ]
[ 5983-09-5 ]
(S)-benzyl 2-((((2S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methoxy)(naphthalen-1-yloxy)phosphorylamino)propanoate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 3666 - 3669

9
[ 5983-09-5 ]
[ 142629-80-9 ]
(S)-methyl 2-((((2S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-tetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 3666 - 3669

10
[ 5983-09-5 ]
[ 28616-93-5 ]

Reference： [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 4766 - 4774

11
[ 108-24-7 ]
[ 5983-09-5 ]
[ 102935-28-4 ]

Reference： [1]Journal of Medicinal Chemistry,2007,vol. 50,p. 4766 - 4774

12
[ 951-78-0 ]
[ 5983-09-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 3666 - 3669
[2]Journal of Medicinal Chemistry,2004,vol. 47,p. 1847 - 1851
[3]ChemMedChem,2015,vol. 10,p. 94 - 106

13
[ 3056-16-4 ]
[ 5983-09-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 3666 - 3669
[2]Journal of Medicinal Chemistry,2004,vol. 47,p. 1847 - 1851
[3]ChemMedChem,2015,vol. 10,p. 94 - 106

14
[ 3056-15-3 ]
[ 5983-09-5 ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2007,vol. 17,p. 3666 - 3669
[2]Journal of Medicinal Chemistry,2004,vol. 47,p. 1847 - 1851
[3]ChemMedChem,2015,vol. 10,p. 94 - 106

15
[ 5983-09-5 ]
ddU-5'-MP-(L)-Trp-OMe [ No CAS ]

Reference： [1]Chemistry of Natural Compounds,2006,vol. 42,p. 208 - 211

16
[ 5983-09-5 ]
mono[(N,N'-dimethyl)carbamoyloxymethyl] 2',3'-dideoxyuridine 5'-monophosphate [ No CAS ]

Reference： [1]Pharmaceutical Research,2005,vol. 22,p. 390 - 396

17
[ 5983-09-5 ]
mono[(N-piperidino)carbamoyloxymethyl] 2',3'-dideoxyuridine 5'-monophosphate [ No CAS ]

Reference： [1]Pharmaceutical Research,2005,vol. 22,p. 390 - 396

18
[ 5983-09-5 ]
6-hexyl-3-(5-hydroxymethyl-tetrahydro-furan-2-yl)-3H-furo[2,3-d]pyrimidin-2-one [ No CAS ]