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. : | 527-07-1 | MDL No. : | MFCD00064210 |
Formula : | C6H11NaO7 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | UPMFZISCCZSDND-JJKGCWMISA-M |
M.W : | 218.14 | Pubchem ID : | 23672301 |
Synonyms : |
D-Gluconic acid sodium salt;Sodium D-gluconate;D-Gluconate sodium salt
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.83 |
Num. rotatable bonds : | 5 |
Num. H-bond acceptors : | 7.0 |
Num. H-bond donors : | 5.0 |
Molar Refractivity : | 36.59 |
TPSA : | 141.28 Ų |
GI absorption : | Low |
BBB permeant : | No |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -10.02 cm/s |
Log Po/w (iLOGP) : | -18.67 |
Log Po/w (XLOGP3) : | -3.37 |
Log Po/w (WLOGP) : | -4.83 |
Log Po/w (MLOGP) : | -2.9 |
Log Po/w (SILICOS-IT) : | -2.26 |
Consensus Log Po/w : | -6.4 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 1.0 |
Egan : | 1.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | 1.26 |
Solubility : | 3980.0 mg/ml ; 18.2 mol/l |
Class : | Highly soluble |
Log S (Ali) : | 0.98 |
Solubility : | 2080.0 mg/ml ; 9.53 mol/l |
Class : | Highly soluble |
Log S (SILICOS-IT) : | 3.02 |
Solubility : | 227000.0 mg/ml ; 1040.0 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 3.38 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-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.
[ 299-28-5 ]
Calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Similarity: 0.92
[ 6381-59-5 ]
Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate
Similarity: 0.92
[ 133-37-9 ]
(2R,3R)-rel-2,3-Dihydroxysuccinic acid
Similarity: 0.92
[ 87-69-4 ]
(2R,3R)-2,3-Dihydroxysuccinic acid
Similarity: 0.92
[ 299-28-5 ]
Calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Similarity: 0.92
[ 6381-59-5 ]
Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate
Similarity: 0.92
[ 133-37-9 ]
(2R,3R)-rel-2,3-Dihydroxysuccinic acid
Similarity: 0.92
[ 87-69-4 ]
(2R,3R)-2,3-Dihydroxysuccinic acid
Similarity: 0.92
[ 299-28-5 ]
Calcium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Similarity: 0.92
[ 6381-59-5 ]
Potassium sodium (2R,3R)-2,3-dihydroxysuccinate tetrahydrate
Similarity: 0.92
[ 778571-57-6 ]
Magnesium (2R,3S)-2,3,4-trihydroxybutanoate
Similarity: 0.88
[ 68-04-2 ]
Sodium 2-hydroxypropane-1,2,3-tricarboxylate
Similarity: 0.83
[ 18996-35-5 ]
Sodium 3,4-dicarboxy-3-hydroxybutanoate
Similarity: 0.83