(2R,3S)-2,3-dihydroxydec-4-ynoic acid

C10H16O4 — CID 163006960

IUPAC(2R,3S)-2,3-dihydroxydec-4-ynoic acid
SMILESCCCCCC#C[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H16O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,11-12H,2-5H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyVSKXYKGCLVJSEW-DTWKUNHWSA-N
MW200.23 g/mol
LogP0.38
Rot. Bonds5

About (2R,3S)-2,3-dihydroxydec-4-ynoic acid

(2R,3S)-2,3-dihydroxydec-4-ynoic acid (PubChem CID 163006960) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R,3S)-2,3-dihydroxydec-4-ynoic acid.

Molecular Properties

Compound Name(2R,3S)-2,3-dihydroxydec-4-ynoic acid
PubChem CID163006960
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2R,3S)-2,3-dihydroxydec-4-ynoic acid
SMILESCCCCCC#C[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C10H16O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,11-12H,2-5H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyVSKXYKGCLVJSEW-DTWKUNHWSA-N
XLogP0.38
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;tetradec-7-yne
CID 90353944
carbonic acid;non-3-yne
CID 87169900
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
dodec-6-ynoic acid
CID 5312609
2,2-dimethylheptadec-4-yn-3-ol
CID 177304706
2-dec-1-ynylpentanedioic acid
CID 88639524
3-hydroxy-2-pentyldec-4-ynal
CID 15474728
pentacos-6-ynoic acid
CID 71542375
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
dotriacont-13-ynoic acid
CID 16654690

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,3-dihydroxydec-4-ynoic acid?
The IUPAC name of (2R,3S)-2,3-dihydroxydec-4-ynoic acid (CID 163006960) is (2R,3S)-2,3-dihydroxydec-4-ynoic acid.
What is the SMILES notation for (2R,3S)-2,3-dihydroxydec-4-ynoic acid?
The canonical SMILES for (2R,3S)-2,3-dihydroxydec-4-ynoic acid is CCCCCC#C[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3S)-2,3-dihydroxydec-4-ynoic acid?
The InChIKey is VSKXYKGCLVJSEW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-4-5-6-7-8(11)9(12)10(13)14/h8-9,11-12H,2-5H2,1H3,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2,3-dihydroxydec-4-ynoic acid?
(2R,3S)-2,3-dihydroxydec-4-ynoic acid has a molecular weight of 200.23 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,3-dihydroxydec-4-ynoic acid is sourced from PubChem (CID 163006960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).