U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H26O8P2
Molecular Weight 432.3418
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRADIOL DIPHOSPHATE

SMILES

[H][C@@]12CC[C@H](OP(O)(O)=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OP(O)(O)=O)C=C4

InChI

InChIKey=KUTYECUKGBDMJH-ZBRFXRBCSA-N
InChI=1S/C18H26O8P2/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24/h3,5,10,14-17H,2,4,6-9H2,1H3,(H2,19,20,21)(H2,22,23,24)/t14-,15-,16+,17+,18+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ESTRADIOL DIPHOSPHATE
Common Name English
ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, BIS(DIHYDROGEN PHOSPHATE)
Systematic Name English
Code System Code Type Description
CAS
13445-48-2
Created by admin on Sat Dec 16 09:32:46 GMT 2023 , Edited by admin on Sat Dec 16 09:32:46 GMT 2023
PRIMARY
PUBCHEM
76967140
Created by admin on Sat Dec 16 09:32:46 GMT 2023 , Edited by admin on Sat Dec 16 09:32:46 GMT 2023
PRIMARY
FDA UNII
47022SBL14
Created by admin on Sat Dec 16 09:32:46 GMT 2023 , Edited by admin on Sat Dec 16 09:32:46 GMT 2023
PRIMARY