(2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol

C10H18O6 — CID 102266624

IUPAC(2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol
SMILESC=CCC(O)[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H18O6/c1-3-4-5(11)9-7(13)6(12)8(14)10(15-2)16-9/h3,5-14H,1,4H2,2H3/t5?,6-,7+,8+,9+,10-/m0/s1
InChIKeyWITLSRPSVWUVGZ-IHNYECBBSA-N
MW234.25 g/mol
LogP-1.62
Rot. Bonds4

About (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 102266624) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol
PubChem CID102266624
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name(2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol
SMILESC=CCC(O)[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H18O6/c1-3-4-5(11)9-7(13)6(12)8(14)10(15-2)16-9/h3,5-14H,1,4H2,2H3/t5?,6-,7+,8+,9+,10-/m0/s1
InChIKeyWITLSRPSVWUVGZ-IHNYECBBSA-N
XLogP-1.62
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol with MolForge

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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
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
(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
(3R,4S,5R,6R)-6-(hydroxymethyl)-4-(undec-10-enyloxy)-tetrahydro-2H-pyran-2,3,5-triol
CID 9996876
3-(beta-D-glucopyranosyl)-1-propene
CID 44414214
3-Hexenyl beta-d-glucopyranoside
CID 125625
2-Hex-3-enoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 73981610

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol (CID 102266624) is (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol is C=CCC(O)[C@H]1O[C@H](OC)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is WITLSRPSVWUVGZ-IHNYECBBSA-N. The full InChI is InChI=1S/C10H18O6/c1-3-4-5(11)9-7(13)6(12)8(14)10(15-2)16-9/h3,5-14H,1,4H2,2H3/t5?,6-,7+,8+,9+,10-/m0/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 234.25 g/mol, XLogP of -1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(1-hydroxybut-3-enyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 102266624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).