(5S)-5,6-dihydroxyhex-2-enoic acid

C6H10O4 — CID 56608082

IUPAC(5S)-5,6-dihydroxyhex-2-enoic acid
SMILESO=C(O)C=CC[C@H](O)CO
InChIInChI=1S/C6H10O4/c7-4-5(8)2-1-3-6(9)10/h1,3,5,7-8H,2,4H2,(H,9,10)/t5-/m0/s1
InChIKeyDRBWMXNJHFVEFR-YFKPBYRVSA-N
MW146.14 g/mol
LogP-0.63
Rot. Bonds4

About (5S)-5,6-dihydroxyhex-2-enoic acid

(5S)-5,6-dihydroxyhex-2-enoic acid (PubChem CID 56608082) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (5S)-5,6-dihydroxyhex-2-enoic acid.

Molecular Properties

Compound Name(5S)-5,6-dihydroxyhex-2-enoic acid
PubChem CID56608082
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(5S)-5,6-dihydroxyhex-2-enoic acid
SMILESO=C(O)C=CC[C@H](O)CO
InChIInChI=1S/C6H10O4/c7-4-5(8)2-1-3-6(9)10/h1,3,5,7-8H,2,4H2,(H,9,10)/t5-/m0/s1
InChIKeyDRBWMXNJHFVEFR-YFKPBYRVSA-N
XLogP-0.63
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,10-dihydroxydec-2-enoic acid
CID 74394352
11,12-dihydroxydodec-2-enoic acid
CID 154629729
5-hydroxyundec-2-enoic acid
CID 54094975
hex-4-ene-1,2,6-triol
CID 140660957
pentakis((2S,3R)-butane-1,2,3,4-tetrol);bis((Z)-but-2-enedioic acid)
CID 157481940
5,8-dihydroxyoctadec-2-enoic acid
CID 162533273
but-2-enedioic acid;propane-1,2-diol
CID 71366935
(E,5S)-5-aminohex-2-enoic acid
CID 55284274
hepta-2,5-dienedioic acid
CID 74058962
pentan-2-yl 5,6-dihydroxyhex-2-enoate
CID 175300453
4-(2,3-dihydroxypropoxy)-4-oxobut-2-enoic acid
CID 54038335
acetic acid;propane-1,2,3-triol;propan-2-one
CID 158983887

Frequently Asked Questions

What is the IUPAC name of (5S)-5,6-dihydroxyhex-2-enoic acid?
The IUPAC name of (5S)-5,6-dihydroxyhex-2-enoic acid (CID 56608082) is (5S)-5,6-dihydroxyhex-2-enoic acid.
What is the SMILES notation for (5S)-5,6-dihydroxyhex-2-enoic acid?
The canonical SMILES for (5S)-5,6-dihydroxyhex-2-enoic acid is O=C(O)C=CC[C@H](O)CO.
What is the InChIKey of (5S)-5,6-dihydroxyhex-2-enoic acid?
The InChIKey is DRBWMXNJHFVEFR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10O4/c7-4-5(8)2-1-3-6(9)10/h1,3,5,7-8H,2,4H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (5S)-5,6-dihydroxyhex-2-enoic acid?
(5S)-5,6-dihydroxyhex-2-enoic acid has a molecular weight of 146.14 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,6-dihydroxyhex-2-enoic acid is sourced from PubChem (CID 56608082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).