Vitamin D2 B-D-glucuronide sodium salt
Basic information
- CAS
85701-30-0- Standard SMILES
C=C1CC[C@H](O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]12.[Na+]- InChIKey
KZPUZRVSBMCROQ-BLZNVSBSSA-M- Molecular formula
- C34H51NaO7
- Average molar mass
- 594.8 g/mol
- Monoisotopic mass
- 594.35324824
Names & identifiers
- Preferred name
- Vitamin D2 B-D-glucuronide sodium salt
- IUPAC
- sodium (2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
- English name
- VitaMin D2 β-D-Glucuronide SodiuM Salt
- Molecular formula
- C34H51NaO7
- Molecular weight
- 594.75431
Names & synonyms
85701-30-0Vitamin D2 ?-D-Glucuronide Sodium SaltSodium;(2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylateVitaMin D2 beta-D-Glucuronide SodiuM SaltVITAMIN D2 B-D-GLUCURONIDE SODIUM SALTDTXSID40858567MV16893(3b,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-yl b-D-glucopyranosiduronic acid monosodium saltSodium (3S,5Z,7E,22E)-9,10-secoergosta-5,7,10,22-tetraen-3-yl beta-D-glucopyranosiduronateVitamin D2 β-D-Glucuronide Sodium SaltVitamin D2 β-D-Glucuronide Sodium Salt, CAS 85701-30-0(3β,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-yl β-D-Glucopyranosiduronic Acid MonosodiuM Salt
Show more names
(2S,3S,4S,5R,6R)-6-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,050
Chemistry & industry
Applications
UsesThe active metabolite of Vitamin D2 (V676040). It was active in promoting calcium transport in the intestine at a dose of 100 pmol per rat.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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