(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol

C10H18O5 — CID 14824471

IUPAC(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol
SMILESC=CCO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](OC)[C@@H]1O
InChIInChI=1S/C10H18O5/c1-4-5-14-9-7(11)6(2)15-10(13-3)8(9)12/h4,6-12H,1,5H2,2-3H3/t6-,7-,8+,9+,10+/m0/s1
InChIKeyPRBOFDGLDFKPMJ-SRQGCSHVSA-N
MW218.25 g/mol
LogP-0.33
Rot. Bonds4

About (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol

(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol (PubChem CID 14824471) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol
PubChem CID14824471
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol
SMILESC=CCO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](OC)[C@@H]1O
InChIInChI=1S/C10H18O5/c1-4-5-14-9-7(11)6(2)15-10(13-3)8(9)12/h4,6-12H,1,5H2,2-3H3/t6-,7-,8+,9+,10+/m0/s1
InChIKeyPRBOFDGLDFKPMJ-SRQGCSHVSA-N
XLogP-0.33
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol with MolForge

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Related Compounds

(2R,3R,4S,5R,6S)-2-methyl-4,5,6-tris(prop-2-enoxy)oxan-3-ol
CID 70631256
(2R,3R,4R,5S)-5-(hydroxymethyl)-2-methoxy-4-prop-2-enoxyoxolan-3-ol
CID 639388
(2S,3S,4R,5R,6R)-2-ethynyl-6-methoxy-4-prop-2-enoxyoxane-3,5-diol
CID 145057639
(2S,3R,4R,5R,6S)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 134936569
(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 160723234
[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-methoxy-4-prop-2-enoxyoxan-2-yl]methyl acetate
CID 101247131
(2S,4S,5S)-6-ethyl-4-[(2S,4S,5S)-6-ethyl-3-hydroxy-5-methyl-4-prop-2-enoxyoxan-2-yl]oxy-2,5-dimethyloxan-3-ol
CID 59046317
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 11821811
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-5-prop-2-enoxyoxane-3,4-diol
CID 11806580
2-(hydroxymethyl)-6-methoxy-3,5-bis(prop-2-enoxy)oxan-4-ol
CID 73117029
(1R,2S,4S,5S)-3,6-bis(prop-2-enoxy)cyclohexane-1,2,4,5-tetrol
CID 10869017
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol?
The IUPAC name of (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol (CID 14824471) is (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol.
What is the SMILES notation for (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol?
The canonical SMILES for (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol is C=CCO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](OC)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol?
The InChIKey is PRBOFDGLDFKPMJ-SRQGCSHVSA-N. The full InChI is InChI=1S/C10H18O5/c1-4-5-14-9-7(11)6(2)15-10(13-3)8(9)12/h4,6-12H,1,5H2,2-3H3/t6-,7-,8+,9+,10+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol?
(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol has a molecular weight of 218.25 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-2-methoxy-6-methyl-4-prop-2-enoxyoxane-3,5-diol is sourced from PubChem (CID 14824471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).