1.ALPHA.-HYDROXYVITAMIN D5

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: XY02042OD4

Structure
InChI Key NWFOBODUYTUMNC-VPSCEVSQSA-N
Smile C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)C[C@@H](O)C[C@@H]1O
InChI
InChI=1S/C29H48O2/c1-7-22(19(2)3)11-10-20(4)26-14-15-27-23(9-8-16-29(26,27)6)12-13-24-17-25(30)18-28(31)21(24)5/h12-13,19-20,22,25-28,30-31H,5,7-11,14-18H2,1-4,6H3/b23-12+,24-13-/t20-,22-,25-,26-,27+,28+,29-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H48O2
Molecular Weight 428.7
AlogP 7.23
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 40.46
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297361
DrugBank DB13097
FDA SRS XY02042OD4
CONTENTS