[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate

C11H18O7 — CID 101158689

IUPAC[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H]1O[C@@](CO)(OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H18O7/c1-6(2)10(15)17-4-7-8(13)9(14)11(5-12,16-3)18-7/h7-9,12-14H,1,4-5H2,2-3H3/t7-,8-,9+,11-/m1/s1
InChIKeyQWWSWGKQECAZRF-SDNRWEOFSA-N
MW262.26 g/mol
LogP-1.44
Rot. Bonds5

About [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate

[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate (PubChem CID 101158689) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate
PubChem CID101158689
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H]1O[C@@](CO)(OC)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H18O7/c1-6(2)10(15)17-4-7-8(13)9(14)11(5-12,16-3)18-7/h7-9,12-14H,1,4-5H2,2-3H3/t7-,8-,9+,11-/m1/s1
InChIKeyQWWSWGKQECAZRF-SDNRWEOFSA-N
XLogP-1.44
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-2-methoxy-5-(methoxymethyl)oxolane-3,4-diol
CID 156531335
(2R,3R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 123188389
[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-methylprop-2-enoate
CID 123175000
[(2R,3R,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,4S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl acetate
CID 118509016
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
[(1S,2R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 22826609
[(1S,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methyl 2-methylprop-2-enoate
CID 122376222
[(2R,3R,4S,5S)-3,4-bis(2-methylprop-2-enoyloxy)-5-(2-methylprop-2-enoyloxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl 2-methylprop-2-enoate
CID 66786744
[(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]oxyoxolan-2-yl]methyl nonanoate
CID 20836624
[3-fluoro-3-(fluoromethyl)oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 141277181
[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-(pentanoyloxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl pentanoate
CID 177403994
[(2R,3S,4R,5R)-3-acetyloxy-6-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl acetate
CID 156614222

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate?
The IUPAC name of [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate (CID 101158689) is [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate.
What is the SMILES notation for [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate?
The canonical SMILES for [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC[C@H]1O[C@@](CO)(OC)[C@@H](O)[C@@H]1O.
What is the InChIKey of [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate?
The InChIKey is QWWSWGKQECAZRF-SDNRWEOFSA-N. The full InChI is InChI=1S/C11H18O7/c1-6(2)10(15)17-4-7-8(13)9(14)11(5-12,16-3)18-7/h7-9,12-14H,1,4-5H2,2-3H3/t7-,8-,9+,11-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate?
[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate has a molecular weight of 262.26 g/mol, XLogP of -1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methyl 2-methylprop-2-enoate is sourced from PubChem (CID 101158689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).