(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid

C20H34O5 — CID 169442656

IUPAC(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+,19-/m0/s1/i1D3,2D2,3D2,4D2,5D2
InChIKeyRZCPXIZGLPAGEV-VZKINDSLSA-N
MW365.55 g/mol
LogP3.04
Rot. Bonds13

About (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid

(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid (PubChem CID 169442656) has the molecular formula C20H34O5 and a molecular weight of 365.55 g/mol. Its IUPAC name is (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid.

Molecular Properties

Compound Name(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
PubChem CID169442656
Molecular FormulaC20H34O5
Molecular Weight365.55 g/mol
Exact Mass365.31
IUPAC Name(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
SMILES[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O
InChIInChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+,19-/m0/s1/i1D3,2D2,3D2,4D2,5D2
InChIKeyRZCPXIZGLPAGEV-VZKINDSLSA-N
XLogP3.04
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid 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

(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 5283029
(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-5,5,6,6-tetradeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 90471032
(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(2E,5E)-octa-2,5-dienyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 100949768
(E,6S)-8-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]-6-hydroxyoct-7-enoic acid
CID 171116151
(E,6R)-8-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]-6-hydroxyoct-7-enoic acid
CID 171116145
(E)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 42607309
(E,5S)-7-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(Z)-oct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid
CID 26250241
(Z)-9-[(1R,2R,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
CID 35022708
(Z)-9-[(1S,2S,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]non-7-enoic acid
CID 134812236
(Z)-3,3,4,4-tetradeuterio-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoic acid
CID 54768823
(E)-7-[(1S,2R,3R,5R)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 171042160
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid
CID 67853576

Frequently Asked Questions

What is the IUPAC name of (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid?
The IUPAC name of (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid (CID 169442656) is (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid.
What is the SMILES notation for (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid?
The canonical SMILES for (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid is [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])/C=C\C[C@@H]1[C@H](/C=C/[C@@H](O)CCCC(=O)O)[C@@H](O)C[C@H]1O.
What is the InChIKey of (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid?
The InChIKey is RZCPXIZGLPAGEV-VZKINDSLSA-N. The full InChI is InChI=1S/C20H34O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18+,19-/m0/s1/i1D3,2D2,3D2,4D2,5D2.
What are the key properties of (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid?
(E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid has a molecular weight of 365.55 g/mol, XLogP of 3.04, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5S)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(Z)-4,4,5,5,6,6,7,7,8,8,8-undecadeuteriooct-2-enyl]cyclopentyl]-5-hydroxyhept-6-enoic acid is sourced from PubChem (CID 169442656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).