Home Other Building Blocks 2-(3-hydroxypropoxy)-1,25-dihydroxyvitamin D3

2-(3-hydroxypropoxy)-1,25-dihydroxyvitamin D3

CAS No.:
104121-92-8
Catalog Number:
AG008TFQ
Molecular Formula:
C30H50O5
Molecular Weight:
490.7150
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$2626
- +
Product Description
Catalog Number:
AG008TFQ
Chemical Name:
2-(3-hydroxypropoxy)-1,25-dihydroxyvitamin D3
CAS Number:
104121-92-8
Molecular Formula:
C30H50O5
Molecular Weight:
490.7150
MDL Number:
MFCD25977156
IUPAC Name:
(1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
InChI:
InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1
InChI Key:
FZEXGDDBXLBRTD-AYIMTCTASA-N
SMILES:
OCCCO[C@@H]1[C@H](O)C/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CCCC(O)(C)C)C)C)/C(=C)[C@H]1O
UNII:
I2JP8UE90H
Properties
Complexity:
784  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
2  
Exact Mass:
490.366g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
490.725g/mol
Monoisotopic Mass:
490.366g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
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Properties