5-Beta-pregnan-3-alpha,6-alpha-diol-20-one

• CAS: 570-78-5
• Catalog Number: ACM570785
• Category: Steroidal Compounds
• Molecular Weight: 334.49
• Molecular Formula: C₂₁H₃₄O₃
• Synonyms: 5-BETA-PREGNAN-3-ALPHA, 6-ALPHA-DIOL-20-ONE;3-alpha,6-alpha-dihydroxy-5-beta-pregnan-20-on;3-alpha,6-alpha-dihydroxy-5-beta-pregnan-20-one;6-alpha-hydroxypregnanolone;pregnan-3,6-diol-20-one;3ALPHA,6ALPHA-Dihydroxy-5B-pregnan-20-one;3α,6α-Dihydroxy-5β-pr
• IUPAC Name: 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
• Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
• InChI Key: HHUZGDMRRLQZIQ-PXWUZWBYSA-N
• Boiling Point: 469.7ºC at 760mmHg
• Flash Point: 252ºC
• Density: 1.117g/cm³
• EC Number: 209-333-8
• Exact Mass: 334.25100
• H-Bond Acceptor: 3
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The molecular formula is C21H34O3.

What is the molecular weight of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The molecular weight is 334.5 g/mol.

What is the CAS number of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The CAS number is 570-78-5.

What is the IUPAC name of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The IUPAC name is 1-[(3R,5R,6S,8R,9S,10R,13S,14S,17S)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone.

How many hydrogen bond donor atoms does 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one have?

It has 2 hydrogen bond donor atoms.

How many hydrogen bond acceptor atoms does 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one have?

It has 3 hydrogen bond acceptor atoms.

How many rotatable bonds does 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one have?

It has 1 rotatable bond.

What is the topological polar surface area of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

The topological polar surface area is 57.5Ų.

How many heavy atoms are present in 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

There are 24 heavy atoms.

How many defined atom stereocenters are there in 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one?

There are 9 defined atom stereocenters.