(1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol

C12H20O5 — CID 170989051

IUPAC(1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol
SMILESCCC/C=C/C1=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H20O5/c1-2-3-4-5-7-8(6-13)10(15)12(17)11(16)9(7)14/h4-5,9-17H,2-3,6H2,1H3/b5-4+/t9-,10-,11+,12+/m1/s1
InChIKeyJTHYSQZPWXZTJT-JVZIUPTQSA-N
MW244.29 g/mol
LogP-0.91
Rot. Bonds4

About (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol

(1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol (PubChem CID 170989051) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol
PubChem CID170989051
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol
SMILESCCC/C=C/C1=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H20O5/c1-2-3-4-5-7-8(6-13)10(15)12(17)11(16)9(7)14/h4-5,9-17H,2-3,6H2,1H3/b5-4+/t9-,10-,11+,12+/m1/s1
InChIKeyJTHYSQZPWXZTJT-JVZIUPTQSA-N
XLogP-0.91
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol with MolForge

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Related Compounds

Streptol, (+)-
CID 5288564
Eupenoxide
CID 11242243
Phomoxide
CID 11311305
(1S,2R,4S)-5-[(E)-3-Hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol
CID 25750967
Trichoxide
CID 155920167
Acremin F
CID 23846553
cis-1,2-Dihydroxy-1,2,5,6,7,8-hexahydronaphthalene
CID 9548021
(1S,2R,5R,6R)-3-(hydroxymethyl)-4-[(E)-pent-1-enyl]-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
CID 164618003
Acremine F
CID 12176070
Aspergone O
CID 139200637
CID 139588204
CID 139588204
Pestalotiopsol A
CID 139588206

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol (CID 170989051) is (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol is CCC/C=C/C1=C(CO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol?
The InChIKey is JTHYSQZPWXZTJT-JVZIUPTQSA-N. The full InChI is InChI=1S/C12H20O5/c1-2-3-4-5-7-8(6-13)10(15)12(17)11(16)9(7)14/h4-5,9-17H,2-3,6H2,1H3/b5-4+/t9-,10-,11+,12+/m1/s1.
What are the key properties of (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol?
(1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol has a molecular weight of 244.29 g/mol, XLogP of -0.91, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4R)-5-(hydroxymethyl)-6-[(E)-pent-1-enyl]cyclohex-5-ene-1,2,3,4-tetrol is sourced from PubChem (CID 170989051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).