(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol

C6H12O4 — CID 131240966

IUPAC(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol
SMILESOC/C=C/[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O4/c7-3-1-2-5(9)6(10)4-8/h1-2,5-10H,3-4H2/b2-1+/t5-,6+/m0/s1
InChIKeyZRDKNTASDLSPCG-AUGZYCGMSA-N
MW148.16 g/mol
LogP-1.75
Rot. Bonds4

About (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol

(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol (PubChem CID 131240966) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol.

Molecular Properties

Compound Name(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol
PubChem CID131240966
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol
SMILESOC/C=C/[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H12O4/c7-3-1-2-5(9)6(10)4-8/h1-2,5-10H,3-4H2/b2-1+/t5-,6+/m0/s1
InChIKeyZRDKNTASDLSPCG-AUGZYCGMSA-N
XLogP-1.75
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
(2S,3R)-2,3,4-trihydroxy(113C)butanal
CID 131883807
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
4-methylpent-2-ene-1,5-diol
CID 78100137
(2S,3R)-2,3,4-trihydroxybutanal;pentahydrate
CID 140967794
(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;iron
CID 173421469
CID 87266813
CID 87266813
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;methane
CID 155195650
(3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
CID 87483282
CID 158428296
CID 158428296

Frequently Asked Questions

What is the IUPAC name of (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol?
The IUPAC name of (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol (CID 131240966) is (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol.
What is the SMILES notation for (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol?
The canonical SMILES for (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol is OC/C=C/[C@H](O)[C@H](O)CO.
What is the InChIKey of (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol?
The InChIKey is ZRDKNTASDLSPCG-AUGZYCGMSA-N. The full InChI is InChI=1S/C6H12O4/c7-3-1-2-5(9)6(10)4-8/h1-2,5-10H,3-4H2/b2-1+/t5-,6+/m0/s1.
What are the key properties of (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol?
(E,2R,3S)-hex-4-ene-1,2,3,6-tetrol has a molecular weight of 148.16 g/mol, XLogP of -1.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R,3S)-hex-4-ene-1,2,3,6-tetrol is sourced from PubChem (CID 131240966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).