2-Hydroxyestriol

• Catalog Number: ACM1232800
• Product Name: 2-Hydroxyestriol
• CAS: 1232-80-0
• Category: Steroidal Compounds
• Synonyms: 2-HYDROXYESTRIOL, CID14688, Estra-1,3,5(10)-triene-2,3,16alpha,17beta-tetrol, 1232-80-0
• IUPAC Name: (16R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,16,17-tetrol
• Molecular Weight: 304.38
• Molecular Formula: C18H24O4
• Canonical SMILES: C[C@H]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=CC(=C(C=C34)O)O
• InChI Key: ZUGCDOZAVASBQT-ZMVKOKSESA-N
• Boiling Point: 504.6ºC at 760 mmHg
• Flash Point: 238.4ºC
• Density: 1.334 g/cm³
• Exact Mass: 304.16700
• Hazard Statements: Xn: Harmful
• H-Bond Acceptor: 4
• H-Bond Donor: 4

Custom Q&A

What is the molecular formula of 2-Hydroxyestriol?

The molecular formula of 2-Hydroxyestriol is C18H24O4.

What is the molecular weight of 2-Hydroxyestriol?

The molecular weight of 2-Hydroxyestriol is 304.4 g/mol.

What is the IUPAC name of 2-Hydroxyestriol?

The IUPAC name of 2-Hydroxyestriol is (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,16,17-tetrol.

What is the InChI of 2-Hydroxyestriol?

The InChI of 2-Hydroxyestriol is InChI=1S/C18H24O4/c1-18-5-4-10-11(13(18)8-16(21)17(18)22)3-2-9-6-14(19)15(20)7-12(9)10/h6-7,10-11,13,16-17,19-22H,2-5,8H2,1H3/t10-,11+,13-,16+,17-,18-/m0/s1.

What is the InChIKey of 2-Hydroxyestriol?

The InChIKey of 2-Hydroxyestriol is ZUGCDOZAVASBQT-SLVREZFOSA-N.

What are the synonyms of 2-Hydroxyestriol?

The synonyms of 2-Hydroxyestriol include 2-HYDROXYESTRIOL, 1232-80-0, and XS3NDJ547R.

What is the XLogP3 value of 2-Hydroxyestriol?

The XLogP3 value of 2-Hydroxyestriol is 2.1.

How many hydrogen bond donor counts does 2-Hydroxyestriol have?

2-Hydroxyestriol has 4 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2-Hydroxyestriol have?

2-Hydroxyestriol has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does 2-Hydroxyestriol have?

2-Hydroxyestriol has 0 rotatable bond counts.