(2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one

C23H30N4O3 — CID 70524613

IUPAC(2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one
SMILESO=C1C[C@@H](O)[C@@H](C(O)=CCCCc2ccccc2)[C@H]1C/C=C\CCCc1nn[nH]n1
InChIInChI=1S/C23H30N4O3/c28-19(14-9-8-12-17-10-4-3-5-11-17)23-18(20(29)16-21(23)30)13-6-1-2-7-15-22-24-26-27-25-22/h1,3-6,10-11,14,18,21,23,28,30H,2,7-9,12-13,15-16H2,(H,24,25,26,27)/b6-1-,19-14?/t18-,21+,23+/m0/s1
InChIKeyQXLWUFJNCWJBNJ-ZZIBNVOYSA-N
MW410.52 g/mol
LogP3.50
Rot. Bonds11

About (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one

(2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one (PubChem CID 70524613) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one.

Molecular Properties

Compound Name(2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one
PubChem CID70524613
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one
SMILESO=C1C[C@@H](O)[C@@H](C(O)=CCCCc2ccccc2)[C@H]1C/C=C\CCCc1nn[nH]n1
InChIInChI=1S/C23H30N4O3/c28-19(14-9-8-12-17-10-4-3-5-11-17)23-18(20(29)16-21(23)30)13-6-1-2-7-15-22-24-26-27-25-22/h1,3-6,10-11,14,18,21,23,28,30H,2,7-9,12-13,15-16H2,(H,24,25,26,27)/b6-1-,19-14?/t18-,21+,23+/m0/s1
InChIKeyQXLWUFJNCWJBNJ-ZZIBNVOYSA-N
XLogP3.50
TPSA111.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3S)-3-hydroxy-2-[(Z)-1-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl] acetate
CID 140517335
(E)-7-[(1R,3R)-3-hydroxy-5-oxo-2-[(E)-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 10177191
(2R,3R,4R)-4-hydroxy-3-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one
CID 90674643
7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enyl acetate
CID 57022432
4-methyl-2-(7-oxooct-2-enyl)-3-(5-phenylpentyl)cyclopentan-1-one
CID 91200848
propan-2-yl 7-[(1R,2R)-3-hydroxy-2-(3-hydroxy-5-phenylpentyl)-5-oxocyclopentyl]hept-5-enoate
CID 91551123
N-(cyclopropylmethyl)-7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enamide
CID 162300927
(Z)-7-[2-[1-[tert-butyl(dimethyl)silyl]oxy-5-phenylpent-1-enyl]-5-hydroxycyclopent-2-en-1-yl]hept-5-enoic acid
CID 67771496
(1S,5R)-6-(5-phenylpent-1-enyl)bicyclo[3.1.0]hexan-3-one
CID 54289120
trans-(1S,3R)-4-(hydroxyamino)-3-[(E)-3-hydroxy-4-phenoxybut-1-enyl]-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-ol
CID 59909503
(E)-7-[5-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 20527904
(Z)-7-[(1R,2R,5R)-5-hydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
CID 95065561

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one?
The IUPAC name of (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one (CID 70524613) is (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one.
What is the SMILES notation for (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one?
The canonical SMILES for (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one is O=C1C[C@@H](O)[C@@H](C(O)=CCCCc2ccccc2)[C@H]1C/C=C\CCCc1nn[nH]n1.
What is the InChIKey of (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one?
The InChIKey is QXLWUFJNCWJBNJ-ZZIBNVOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c28-19(14-9-8-12-17-10-4-3-5-11-17)23-18(20(29)16-21(23)30)13-6-1-2-7-15-22-24-26-27-25-22/h1,3-6,10-11,14,18,21,23,28,30H,2,7-9,12-13,15-16H2,(H,24,25,26,27)/b6-1-,19-14?/t18-,21+,23+/m0/s1.
What are the key properties of (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one?
(2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one has a molecular weight of 410.52 g/mol, XLogP of 3.50, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-hydroxy-3-(1-hydroxy-5-phenylpent-1-enyl)-2-[(Z)-6-(2H-tetrazol-5-yl)hex-2-enyl]cyclopentan-1-one is sourced from PubChem (CID 70524613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).