[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol

C12H22O6 — CID 11010775

IUPAC[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol
SMILESC=CCO[C@H]1O[C@H](CO)[C@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C12H22O6/c1-5-6-17-12-11(16-4)10(15-3)9(14-2)8(7-13)18-12/h5,8-13H,1,6-7H2,2-4H3/t8-,9+,10+,11-,12+/m1/s1
InChIKeyIXHQUWYLYPCJIL-IIRVCBMXSA-N
MW262.30 g/mol
LogP-0.05
Rot. Bonds7

About [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol

[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol (PubChem CID 11010775) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol
PubChem CID11010775
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol
SMILESC=CCO[C@H]1O[C@H](CO)[C@H](OC)[C@H](OC)[C@H]1OC
InChIInChI=1S/C12H22O6/c1-5-6-17-12-11(16-4)10(15-3)9(14-2)8(7-13)18-12/h5,8-13H,1,6-7H2,2-4H3/t8-,9+,10+,11-,12+/m1/s1
InChIKeyIXHQUWYLYPCJIL-IIRVCBMXSA-N
XLogP-0.05
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol with MolForge

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Related Compounds

(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
CID 59039688
(2R,3R,4R,5S)-5-(hydroxymethyl)-2-methoxy-4-prop-2-enoxyoxolan-3-ol
CID 639388
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 11821811
2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 73117029
(2S,3S,4R,5S,6S)-2-[(2R,3R,4S,5R,6R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-prop-2-enoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 101154089
(2R,3S,4S,5R)-2-(hydroxymethyl)-5,6-bis(prop-2-enoxy)oxane-3,4-diol
CID 67610821
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxane-3,4-diol
CID 11806580
[(2R,3R,4R,5R)-5-(hydroxymethyl)-3,4-dimethoxyoxolan-2-yl]methanol
CID 102375568
(2R,3S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxan-3-ol
CID 170851169
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R)-2-(hydroxymethyl)-4,5,6-tris(prop-2-enoxy)oxan-3-yl]oxy-4,5-bis(prop-2-enoxy)oxan-3-ol
CID 139885827
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol (CID 11010775) is [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol is C=CCO[C@H]1O[C@H](CO)[C@H](OC)[C@H](OC)[C@H]1OC.
What is the InChIKey of [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol?
The InChIKey is IXHQUWYLYPCJIL-IIRVCBMXSA-N. The full InChI is InChI=1S/C12H22O6/c1-5-6-17-12-11(16-4)10(15-3)9(14-2)8(7-13)18-12/h5,8-13H,1,6-7H2,2-4H3/t8-,9+,10+,11-,12+/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol?
[(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol has a molecular weight of 262.30 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6S)-3,4,5-trimethoxy-6-prop-2-enoxyoxan-2-yl]methanol is sourced from PubChem (CID 11010775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).