(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid

C10H18O8 — CID 10468092

IUPAC(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid
SMILESC=C(C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O
InChIInChI=1S/C10H18O8/c1-4(10(17)18)2-5(12)7(14)9(16)8(15)6(13)3-11/h5-9,11-16H,1-3H2,(H,17,18)/t5-,6+,7+,8+,9+/m0/s1
InChIKeyWFLVUYOOAGZAHX-XDQCBXAXSA-N
MW266.25 g/mol
LogP-3.19
Rot. Bonds8

About (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid

(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid (PubChem CID 10468092) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid.

Molecular Properties

Compound Name(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid
PubChem CID10468092
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid
SMILESC=C(C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O
InChIInChI=1S/C10H18O8/c1-4(10(17)18)2-5(12)7(14)9(16)8(15)6(13)3-11/h5-9,11-16H,1-3H2,(H,17,18)/t5-,6+,7+,8+,9+/m0/s1
InChIKeyWFLVUYOOAGZAHX-XDQCBXAXSA-N
XLogP-3.19
TPSA158.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.25
LogP ≤ 5-3.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid?
The IUPAC name of (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid (CID 10468092) is (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid.
What is the SMILES notation for (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid?
The canonical SMILES for (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid is C=C(C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O.
What is the InChIKey of (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid?
The InChIKey is WFLVUYOOAGZAHX-XDQCBXAXSA-N. The full InChI is InChI=1S/C10H18O8/c1-4(10(17)18)2-5(12)7(14)9(16)8(15)6(13)3-11/h5-9,11-16H,1-3H2,(H,17,18)/t5-,6+,7+,8+,9+/m0/s1.
What are the key properties of (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid?
(4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid has a molecular weight of 266.25 g/mol, XLogP of -3.19, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoic acid is sourced from PubChem (CID 10468092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).