25, 26-Dihydroxy Vitamin D3

CAT: 1596-AR-V01532-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V01532-01Size:10 Units

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CAS Number

29261-12-9

Synonyms

25,26-Dihydroxycholecalciferol; (6R) -2-methyl-6-[ (1R,3aS,4E,7aR) -octahydro-4-[ (2Z) -2-[ (5S) -5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-1H-inden-1-yl]-1,2-Heptanediol

Molecular Formula

C27H44O3

Molecular Weight

416.65

API Name

Vitamin D3

Chemical Information

25,26-Dihydroxyvitamin D3

RN given refers to (3beta,5A,7E)-isomer

CAS Number	29261-12-9
PubChem CID	21159907
IUPAC Name	(6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2-diol
Molecular Formula	C27H44O3
Molecular Weight	416.6
XLogP	5.1
Topological Polar Surface Area	60.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	678

SMILES

C[C@H](CCCC(C)(CO)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C

InChI

InChI=1S/C27H44O3/c1-19-9-12-23(29)17-22(19)11-10-21-8-6-16-27(4)24(13-14-25(21)27)20(2)7-5-15-26(3,30)18-28/h10-11,20,23-25,28-30H,1,5-9,12-18H2,2-4H3/b21-10+,22-11-/t20-,23+,24-,25+,26?,27-/m1/s1

InChIKey

QOWCBCXATJITSI-ZLNGONTQSA-N

Chemical Structure

2D Structure

CAS: 29261-12-9

CID: 21159907

Formula: C27H44O3

MW: 416.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	416.6
XLogP3	5.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	416.32904526
Monoisotopic Mass	416.32904526
Topological Polar Surface Area	60.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	678
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
AR-V01529-01	1, 26-Dihydroxy Vitamin D3
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AR-V01530-01	23, 25-Dihydroxy Vitamin D3
AR-V06064-01	25-Hydroxy Vitamin D3 3-Hemisuccinate
AR-V06811-01	3-epi-25-Hydroxy Vitamin D3
AR-V01525-01	Vitamin D3
AR-V01592-01	Vitamin D3 Octanoate
AR-V06022-01	Vitamin D3-d6
AR-V01593-01	Vitamin D3 Caprate
AR-V07185-01	Ergocalciferol-d3 (Vitamin D2-d3)

Alternative Products

Catalog	Name
TRC-D455090-25MG	1alpha,26-Dihydroxy Vitamin D2
TRC-D455075-25MG	25,26-Dihydroxy Vitamin D3
TRC-D455077-25MG	25,26-Dihydroxy Vitamin D3-d3
RM-V307966-01	Vitamin D3 Impurity 26
RM-V308026-01	Vitamin K2 Impurity 26
RM-V307664-01	Vitamin D3 -26,26,26,27,27,27-D6
FD22067-01	24,25-Dihydroxy vitamin D2
FD22066-01	1a,25-Dihydroxy vitamin D2
D-0400-01	4β,25-Dihydroxy vitamin d3
TRC-D455010-1MG	4Alpha,25-Dihydroxy Vitamin D3

25, 26-Dihydroxy Vitamin D3

Chemical Information

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