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Structure

Estriol 3-sulfate sodium salt

CAS
5150-64-1
Catalog Number
ACM5150641
Category
Steroidal Compounds
Molecular Weight
390.43
Molecular Formula
C18H23NaO6S

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Specification

Synonyms
Estriol 3-sulfate, AIDS128225, AIDS-128225, CID429045, NSC246095, NSC 246095, 16,17-Dihydroxyestra-1,3,5(10)-trien-3-yl hydrogen sulfate, 5150-64-1
IUPAC Name
(16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) hydrogen sulfate
Canonical SMILES
CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.[Na]
InChI Key
ZORQMBLUMWNJEQ-UHFFFAOYSA-N
Density
1.432g/cm³
Exact Mass
390.11100
Hazard Statements
Xn
H-Bond Acceptor
6
H-Bond Donor
3
Safety Description
22-36
What is the molecular formula of Estriol 3-sulfate sodium salt?

The molecular formula is C18H23NaO6S.

What are some synonyms for Estriol 3-sulfate sodium salt?

Some synonyms include NSC-246095 and ESTRIOL, 3-(HYDROGEN SULFATE) MONOSODIUM SALT.

What is the molecular weight of Estriol 3-sulfate sodium salt?

The molecular weight is 390.4 g/mol.

What are the component compounds of Estriol 3-sulfate sodium salt?

The component compounds are Sodium and Estriol 3-sulfate.

When was Estriol 3-sulfate sodium salt created?

It was created on December 19, 2015.

What is the IUPAC name of Estriol 3-sulfate sodium salt?

The IUPAC name is sodium;[(8R,9S,13S,14S,16R,17R)-16,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfate.

What is the InChIKey of Estriol 3-sulfate sodium salt?

The InChIKey is JHJBSZBEDQZYJP-OBXBXFETSA-M.

What is the CAS number of Estriol 3-sulfate sodium salt?

The CAS number is 5150-64-1.

How many hydrogen bond donor counts does Estriol 3-sulfate sodium salt have?

It has 2 hydrogen bond donor counts.

What is the topological polar surface area of Estriol 3-sulfate sodium salt?

The topological polar surface area is 115Ų.

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