(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid

C9H14O7 — CID 71307270

IUPAC(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid
SMILESC=CCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C9H14O7/c1-2-3-4(10)5(11)6(12)7(13)8(14)9(15)16/h2,5-8,11-14H,1,3H2,(H,15,16)/t5-,6+,7-,8-/m0/s1
InChIKeyRJYAMEVLUVSKRE-YWIQKCBGSA-N
MW234.20 g/mol
LogP-2.34
Rot. Bonds7

About (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid

(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid (PubChem CID 71307270) has the molecular formula C9H14O7 and a molecular weight of 234.20 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid
PubChem CID71307270
Molecular FormulaC9H14O7
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Name(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid
SMILESC=CCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O
InChIInChI=1S/C9H14O7/c1-2-3-4(10)5(11)6(12)7(13)8(14)9(15)16/h2,5-8,11-14H,1,3H2,(H,15,16)/t5-,6+,7-,8-/m0/s1
InChIKeyRJYAMEVLUVSKRE-YWIQKCBGSA-N
XLogP-2.34
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid?
The IUPAC name of (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid (CID 71307270) is (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid.
What is the SMILES notation for (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid?
The canonical SMILES for (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid is C=CCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid?
The InChIKey is RJYAMEVLUVSKRE-YWIQKCBGSA-N. The full InChI is InChI=1S/C9H14O7/c1-2-3-4(10)5(11)6(12)7(13)8(14)9(15)16/h2,5-8,11-14H,1,3H2,(H,15,16)/t5-,6+,7-,8-/m0/s1.
What are the key properties of (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid?
(2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid has a molecular weight of 234.20 g/mol, XLogP of -2.34, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxonon-8-enoic acid is sourced from PubChem (CID 71307270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).