(2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol

C11H20O6 — CID 54196564

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol
SMILESCCCC=COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h4-5,7-15H,2-3,6H2,1H3/t7-,8-,9+,10-,11?/m1/s1
InChIKeyPMFKOSZFVMGQNC-YBTJCZCISA-N
MW248.27 g/mol
LogP-0.88
Rot. Bonds5

About (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol (PubChem CID 54196564) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol
PubChem CID54196564
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol
SMILESCCCC=COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H20O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h4-5,7-15H,2-3,6H2,1H3/t7-,8-,9+,10-,11?/m1/s1
InChIKeyPMFKOSZFVMGQNC-YBTJCZCISA-N
XLogP-0.88
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5S,6R)-2-((Z)-hex-3-enoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 5318045
2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside
CID 102571608
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-Methylbut-3-En-2-Yloxy)Oxane-3,4,5-Triol
CID 5316128
1-Octen-3-yl glucoside
CID 73817234
(2S,3S,4S,5S,6R)-2-[(E)-hept-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 72725803
Lentzeoside E
CID 129909621
Allyl galactopyranoside
CID 151026
prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside
CID 124222715
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-(undec-10-enyloxy)-tetrahydro-2H-pyran-2,4,5-triol
CID 44442297
3-Hexenyl-beta-glucopyranoside
CID 5318046
3-Methylbut-3-enyl beta-d-glucopyranoside
CID 14239302
(2R,3R,4S,5R,6R)-2-(Allyloxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 11020396

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol (CID 54196564) is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol is CCCC=COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol?
The InChIKey is PMFKOSZFVMGQNC-YBTJCZCISA-N. The full InChI is InChI=1S/C11H20O6/c1-2-3-4-5-16-11-10(15)9(14)8(13)7(6-12)17-11/h4-5,7-15H,2-3,6H2,1H3/t7-,8-,9+,10-,11?/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol has a molecular weight of 248.27 g/mol, XLogP of -0.88, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-pent-1-enoxyoxane-3,4,5-triol is sourced from PubChem (CID 54196564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).