(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol

C7H14O5 — CID 154708941

IUPAC(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
SMILESC=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C7H14O5/c1-2-4(9)6(11)7(12)5(10)3-8/h2,4-12H,1,3H2/t4-,5-,6+,7-/m0/s1
InChIKeyUMUQPWGRCGSHKW-YTLHQDLWSA-N
MW178.18 g/mol
LogP-2.39
Rot. Bonds5

About (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol

(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol (PubChem CID 154708941) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
PubChem CID154708941
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol
SMILESC=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO
InChIInChI=1S/C7H14O5/c1-2-4(9)6(11)7(12)5(10)3-8/h2,4-12H,1,3H2/t4-,5-,6+,7-/m0/s1
InChIKeyUMUQPWGRCGSHKW-YTLHQDLWSA-N
XLogP-2.39
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-2.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol?
The IUPAC name of (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol (CID 154708941) is (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol?
The canonical SMILES for (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol is C=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol?
The InChIKey is UMUQPWGRCGSHKW-YTLHQDLWSA-N. The full InChI is InChI=1S/C7H14O5/c1-2-4(9)6(11)7(12)5(10)3-8/h2,4-12H,1,3H2/t4-,5-,6+,7-/m0/s1.
What are the key properties of (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol?
(2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol has a molecular weight of 178.18 g/mol, XLogP of -2.39, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5S)-hept-6-ene-1,2,3,4,5-pentol is sourced from PubChem (CID 154708941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).