Estradiol 17-palmitate

• CAS: 5776-45-4
• Catalog Number: ACM5776454
• Category: Steroidal Compounds
• Molecular Weight: 510.79
• Molecular Formula: C₃₄H₅₄O₃

Custom Q&A

What is the PubChem CID for Estradiol 17-palmitate?

The PubChem CID for Estradiol 17-palmitate is 111095.

What is the molecular formula of Estradiol 17-palmitate?

The molecular formula of Estradiol 17-palmitate is C34H54O3.

What are the synonyms for Estradiol 17-palmitate?

The synonyms for Estradiol 17-palmitate include Estradiol monopalmitate and Estradiol 17-palmitate 1Q5Y448XT0.

What is the molecular weight of Estradiol 17-palmitate?

The molecular weight of Estradiol 17-palmitate is 510.8 g/mol.

When was Estradiol 17-palmitate created and modified?

Estradiol 17-palmitate was created on 2005-08-08 and modified on 2023-11-25.

What is the IUPAC Name of Estradiol 17-palmitate?

The IUPAC Name of Estradiol 17-palmitate is [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hexadecanoate.

What is the InChI of Estradiol 17-palmitate?

The InChI of Estradiol 17-palmitate is InChI=1S/C34H54O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(36)37-32-22-21-31-30-19-17-26-25-27(35)18-20-28(26)29(30)23-24-34(31,32)2/h18,20,25,29-32,35H,3-17,19,21-24H2,1-2H3/t29-,30-,31+,32+,34+/m1/s1.

What is the InChIKey of Estradiol 17-palmitate?

The InChIKey of Estradiol 17-palmitate is XQKLZLWOOGGXMV-KWXXMMNJSA-N.

What are the other identifiers for Estradiol 17-palmitate?

The other identifiers for Estradiol 17-palmitate include CAS (5776-45-4), European Community (EC) Number (227-300-6), UNII (1Q5Y448XT0), DSSTox Substance ID (DTXSID00973346), NCI Thesaurus Code (C76110), Nikkaji Number (J218.041C), Wikidata (Q24884528), and Wikipedia (Estradiol_palmitate).

What are some computed properties of Estradiol 17-palmitate?

Some computed properties of Estradiol 17-palmitate include molecular weight (510.8 g/mol), XLogP3 (11.9), hydrogen bond donor count (1), hydrogen bond acceptor count (3), rotatable bond count (16), exact mass (510.40729558 g/mol), monoisotopic mass (510.40729558 g/mol), topological polar surface area (46.5Ų), heavy atom count (37), formal charge (0), complexity (676), isotope atom count (0), defined atom stereocenter count (5), and undefined atom stereocenter count (0).