(3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol

C9H16O5 — CID 70409483

IUPAC(3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol
SMILESC=CCOC[C@H]1OC(OC)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H16O5/c1-3-4-13-5-6-7(10)8(11)9(12-2)14-6/h3,6-11H,1,4-5H2,2H3/t6-,7-,8-,9?/m1/s1
InChIKeyFAXSEWGIGLUBIS-BYBOBHAWSA-N
MW204.22 g/mol
LogP-0.72
Rot. Bonds5

About (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol

(3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol (PubChem CID 70409483) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol
PubChem CID70409483
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name(3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol
SMILESC=CCOC[C@H]1OC(OC)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H16O5/c1-3-4-13-5-6-7(10)8(11)9(12-2)14-6/h3,6-11H,1,4-5H2,2H3/t6-,7-,8-,9?/m1/s1
InChIKeyFAXSEWGIGLUBIS-BYBOBHAWSA-N
XLogP-0.72
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
6-O-ethenyl 1-O-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl] hexanedioate
CID 102185269
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2R,3R,4R,5S)-5-(hydroxymethyl)-2-methoxy-4-prop-2-enoxyoxolan-3-ol
CID 639388
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol?
The IUPAC name of (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol (CID 70409483) is (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol?
The canonical SMILES for (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol is C=CCOC[C@H]1OC(OC)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol?
The InChIKey is FAXSEWGIGLUBIS-BYBOBHAWSA-N. The full InChI is InChI=1S/C9H16O5/c1-3-4-13-5-6-7(10)8(11)9(12-2)14-6/h3,6-11H,1,4-5H2,2H3/t6-,7-,8-,9?/m1/s1.
What are the key properties of (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol?
(3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol has a molecular weight of 204.22 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 70409483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).