Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 154-17-6 | MDL No. : | |
Formula : | C6H12O5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | VRYALKFFQXWPIH-PBXRRBTRSA-N |
M.W : | 164.15 | Pubchem ID : | 108223 |
Synonyms : |
2-DG;2-Deoxy-D-arabino-hexose;Ba 2758;NSC 15193;2-deoxyglucose;D-Arabino-2-deoxyhexose
|
Chemical Name : | (3R,4S,5R)-3,4,5,6-Tetrahydroxyhexanal |
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.83 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 5.0 |
Num. H-bond donors : | 4.0 |
Molar Refractivity : | 35.8 |
TPSA : | 97.99 Ų |
GI absorption : | Low |
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) : | -9.35 cm/s |
Log Po/w (iLOGP) : | 0.52 |
Log Po/w (XLOGP3) : | -2.88 |
Log Po/w (WLOGP) : | -2.35 |
Log Po/w (MLOGP) : | -2.1 |
Log Po/w (SILICOS-IT) : | -0.93 |
Consensus Log Po/w : | -1.55 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 1.29 |
Solubility : | 3180.0 mg/ml ; 19.3 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 1.38 |
Solubility : | 3930.0 mg/ml ; 24.0 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 1.52 |
Solubility : | 5500.0 mg/ml ; 33.5 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.97 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* 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.