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25-Hydroxy Vitamin D2 3-Succinate

CAT: 1596-AR-V06062-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V06062-01Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1612177-56-6
Synonyms
1-[ (1S,3Z) -4-Methylene-3-[ (2E) -2-[ (1R,3aS,7aR) -octahydro-1-[ (1R,2E,4S) -5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-ylidene]ethylidene]cyclohexyl] butanedioate; Butanedioic acid, 1-​[ (1S, ​3Z) ​-​4-​methylene-​3-​[ (2E) ​-​2-​[ (1R, ​3aS, ​7aR) ​-​octahydro-​1-​[ (1R, ​2E, ​4S) ​-​5-​hydroxy-​1, ​4, ​5-​trimethyl-​2-​hexen-​1-​yl]​-​7a-​methyl-​4H-​inden-​4-​ylidene]​ethylidene]​cyclohexyl] ester
Molecular Formula
C32H48O5
Molecular Weight
512.72
API Name
Vitamin D2

Chemical Information

25-Hydroxyvitamin D2 3-Hemisuccinate
CAS Number1612177-56-6
PubChem CID131667954
IUPAC Name4-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-4-oxobutanoic acid
Molecular FormulaC32H48O5
Molecular Weight512.7
XLogP6
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity954
SMILES
C[C@H](/C=C/[C@H](C)C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)OC(=O)CCC(=O)O)C
InChI
InChI=1S/C32H48O5/c1-21-10-14-26(37-30(35)18-17-29(33)34)20-25(21)13-12-24-8-7-19-32(6)27(15-16-28(24)32)22(2)9-11-23(3)31(4,5)36/h9,11-13,22-23,26-28,36H,1,7-8,10,14-20H2,2-6H3,(H,33,34)/b11-9+,24-12+,25-13-/t22-,23+,26+,27-,28+,32-/m1/s1
InChIKey
WJFORELUFOSZHQ-OLCHGZDYSA-N
Chemical Structure
2D Structure
2D structure of 25-Hydroxyvitamin D2 3-Hemisuccinate
CAS: 1612177-56-6
CID: 131667954
Formula: C32H48O5
MW: 512.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.7
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass512.35017463
Monoisotopic Mass512.35017463
Topological Polar Surface Area83.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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E4A10L0725-hydroxy Vitamin D2,3
0146493-epi-25-Hydroxy Vitamin D3
sc-4881873-epi-25-Hydroxy vitamin D2
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sc-4982983-O-Dinitrobenzoyl-25-hydroxy Vitamin D2
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HY-W58826225-Hydroxy vitamin D3 3,3'-biotinylaminopropyl ether
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