(Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol

C10H18O4 — CID 135029161

IUPAC(Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol
SMILESOC/C=C\[C@@H](O)C[C@H]1OCCC[C@@H]1O
InChIInChI=1S/C10H18O4/c11-5-1-3-8(12)7-10-9(13)4-2-6-14-10/h1,3,8-13H,2,4-7H2/b3-1-/t8-,9+,10-/m1/s1
InChIKeyVLUAWJCXJPINGR-WADQILMQSA-N
MW202.25 g/mol
LogP-0.17
Rot. Bonds4

About (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol

(Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol (PubChem CID 135029161) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol.

Molecular Properties

Compound Name(Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol
PubChem CID135029161
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol
SMILESOC/C=C\[C@@H](O)C[C@H]1OCCC[C@@H]1O
InChIInChI=1S/C10H18O4/c11-5-1-3-8(12)7-10-9(13)4-2-6-14-10/h1,3,8-13H,2,4-7H2/b3-1-/t8-,9+,10-/m1/s1
InChIKeyVLUAWJCXJPINGR-WADQILMQSA-N
XLogP-0.17
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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(2R,3S,4S,5S)-2-[(3E,5S)-5-hydroxy-4,8-dimethylnona-3,7-dienyl]oxane-3,4,5-triol
CID 163104804
(2S,3R,4S,5S,6R)-2-[(Z)-1-hydroxyhex-3-enyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163195504
Galactosyl pentadecene
CID 132281348
(2R)-3-[(E)-dodec-9-enoxy]propane-1,2-diol
CID 131839667
(2R)-3-[(E)-undec-9-enoxy]propane-1,2-diol
CID 131839669
(E,6R)-6-[(2R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-yl]hex-2-ene-1,6-diol
CID 11558486
(2R,3S,4S,5R,6E)-2-(hydroxymethyl)-6-nonylideneoxane-3,4,5-triol
CID 78210125
1-(Tetrahydropyran-2-yl)hydroxypent-4-en-3-ol
CID 129819795
1-(alpha-d-Galactopyranosyl)-(2e)-pentadec-2-ene
CID 132278845
6-[(E)-[3-hydroxy-2-(hydroxymethyl)oxan-4-ylidene]methyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 134864924
(Z,4R)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol
CID 135029005

Frequently Asked Questions

What is the IUPAC name of (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol?
The IUPAC name of (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol (CID 135029161) is (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol.
What is the SMILES notation for (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol?
The canonical SMILES for (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol is OC/C=C\[C@@H](O)C[C@H]1OCCC[C@@H]1O.
What is the InChIKey of (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol?
The InChIKey is VLUAWJCXJPINGR-WADQILMQSA-N. The full InChI is InChI=1S/C10H18O4/c11-5-1-3-8(12)7-10-9(13)4-2-6-14-10/h1,3,8-13H,2,4-7H2/b3-1-/t8-,9+,10-/m1/s1.
What are the key properties of (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol?
(Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol has a molecular weight of 202.25 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol is sourced from PubChem (CID 135029161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).