(2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one

C17H16O4 — CID 139585374

IUPAC(2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one
SMILESO=C1[C@](O)(c2ccccc2)C[C@@H](O)[C@@]1(O)c1ccccc1
InChIInChI=1S/C17H16O4/c18-14-11-16(20,12-7-3-1-4-8-12)15(19)17(14,21)13-9-5-2-6-10-13/h1-10,14,18,20-21H,11H2/t14-,16-,17+/m1/s1
InChIKeyJAZNFSSUMDVDSH-OIISXLGYSA-N
MW284.31 g/mol
LogP1.10
Rot. Bonds2

About (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one

(2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one (PubChem CID 139585374) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one.

Molecular Properties

Compound Name(2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one
PubChem CID139585374
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name(2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one
SMILESO=C1[C@](O)(c2ccccc2)C[C@@H](O)[C@@]1(O)c1ccccc1
InChIInChI=1S/C17H16O4/c18-14-11-16(20,12-7-3-1-4-8-12)15(19)17(14,21)13-9-5-2-6-10-13/h1-10,14,18,20-21H,11H2/t14-,16-,17+/m1/s1
InChIKeyJAZNFSSUMDVDSH-OIISXLGYSA-N
XLogP1.10
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one?
The IUPAC name of (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one (CID 139585374) is (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one.
What is the SMILES notation for (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one?
The canonical SMILES for (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one is O=C1[C@](O)(c2ccccc2)C[C@@H](O)[C@@]1(O)c1ccccc1.
What is the InChIKey of (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one?
The InChIKey is JAZNFSSUMDVDSH-OIISXLGYSA-N. The full InChI is InChI=1S/C17H16O4/c18-14-11-16(20,12-7-3-1-4-8-12)15(19)17(14,21)13-9-5-2-6-10-13/h1-10,14,18,20-21H,11H2/t14-,16-,17+/m1/s1.
What are the key properties of (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one?
(2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one has a molecular weight of 284.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2,3,5-trihydroxy-2,5-diphenylcyclopentan-1-one is sourced from PubChem (CID 139585374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).