1a,25-Dihydroxy vitamin D2

CAT: 0926-FD22066-01Size: 1 mgDry Ice: NoHazardous: No

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CAS Number

60133-18-8

Synonyms

(1R,3S,5Z) -4-Methylene-5-[ (2E) -2-[ (1R,3aS,7aR) -octahydro-1-[ (1R,2E) -5-hydroxy-1,4,5-trimethyl-2-hexen-1-yl]-7a-methyl-4H-inden-4-yli dene]ethylidene]-1,3-cyclohexanediol; (1a,3b,5Z,7E,22E) -9,10-Secoergosta-5,7,10 (19),22-tetraene-1,3,25-triol;1,25-Dihyd

MDL Number

MFCD28988654

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] (C[C@@H] (C3=C) O) O) C

Molecular Formula

C28H44O3

Molecular Weight

428.65 g/mol

Controlled

Chemical Information

1alpha,25-Dihydroxyvitamin D2

1alpha,25-dihydroxyvitamin D2 is a hydroxycalciol that is vitamin D2 bearing additional hydroxy substituents at positions 1alpha and 25. It has a role as a bone density conservation agent, a nutraceutical and a human xenobiotic metabolite. It is a vitamin D, a seco-ergostane and a hydroxycalciol. It is functionally related to a vitamin D2.

CAS Number	60133-18-8
PubChem CID	9547243
IUPAC Name	trans-(1R,3S,5Z)-5-[(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-methylidenecyclohexane-1,3-diol
Molecular Formula	C28H44O3
Molecular Weight	428.6
XLogP	4.9
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	31
Formal Charge	0
Complexity	758

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](C[C@@H](C3=C)O)O)C

InChI

InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1

InChIKey

ZGLHBRQAEXKACO-XJRQOBMKSA-N

Chemical Structure

2D Structure

CAS: 60133-18-8

CID: 9547243

Formula: C28H44O3

MW: 428.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	428.6
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	428.32904526
Monoisotopic Mass	428.32904526
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	758
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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10-2785	25OH Vitamin D2/D3 antibody
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Alternative Products

Catalog	Name
272408-01	1a,25-Dihydroxy vitamin D2
MBS3920440-01	1a,25-dihydroxy Vitamin D3
abx185911-01	24,25-Dihydroxy VitaMin D2
TRC-D455010-1MG	4Alpha,25-Dihydroxy Vitamin D3
AR-V01531-01	24, 25-Dihydroxy Vitamin D3
AR-V01530-01	23, 25-Dihydroxy Vitamin D3
TRC-D455010-5MG	4a,25-Dihydroxy Vitamin D3
TRC-D455050-25MG	23,25-Dihydroxy Vitamin D3
TRC-D455015-1MG	4Beta,25-Dihydroxy Vitamin D3
RM-C081320-01	1,25-Dihydroxy Vitamin D2

1a,25-Dihydroxy vitamin D2

Chemical Information

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