EcoDrugPlus


Synonyms	1.alpha.-hydroxyvitamin d5 CARD-024 Card-024 LS-144738 MN-201
Status
Molecule Category	Free-form
UNII	XY02042OD4

Synonyms

1.alpha.-hydroxyvitamin d5

CARD-024

Card-024

LS-144738

MN-201

Status

Molecule Category

Free-form

UNII

XY02042OD4


InChI Key	NWFOBODUYTUMNC-VPSCEVSQSA-N
Smiles	C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@H]23)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

InChI Key

NWFOBODUYTUMNC-VPSCEVSQSA-N

Smiles

C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC[C@@H](CC)C(C)C)CC[C@@H]23)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

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

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

Resources	Reference
ChEMBL	CHEMBL4297361
DrugBank	DB13097
FDA SRS	XY02042OD4

Resources

Reference

ChEMBL

CHEMBL4297361

DrugBank

DB13097

FDA SRS

XY02042OD4

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

1.ALPHA.-HYDROXYVITAMIN D5

Structure

Physicochemical Descriptors

Cross References