(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol

C13H18O5 — CID 102303729

IUPAC(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
SMILESC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H18O5/c1-8-10(14)11(15)12(16)13(18-8)17-7-9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3/t8-,10+,11+,12-,13-/m1/s1
InChIKeyUHQDDNIUJBFOEL-UUWLPUTASA-N
MW254.28 g/mol
LogP0.03
Rot. Bonds3

About (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol (PubChem CID 102303729) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
PubChem CID102303729
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol
SMILESC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H18O5/c1-8-10(14)11(15)12(16)13(18-8)17-7-9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3/t8-,10+,11+,12-,13-/m1/s1
InChIKeyUHQDDNIUJBFOEL-UUWLPUTASA-N
XLogP0.03
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5S,6S)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995015
(2R,3R,4S,5S,6S)-2-methyl-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162995019
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
6-methyl-2-phenyl-4-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 18534442
6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
CID 163040985
(2R,3R,6R)-2-methyl-5-phenylmethoxy-6-prop-2-enoxyoxane-3,4-diol
CID 170516720
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-phenylmethoxyoxane-2-carbaldehyde
CID 10849475

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol (CID 102303729) is (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol is C[C@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol?
The InChIKey is UHQDDNIUJBFOEL-UUWLPUTASA-N. The full InChI is InChI=1S/C13H18O5/c1-8-10(14)11(15)12(16)13(18-8)17-7-9-5-3-2-4-6-9/h2-6,8,10-16H,7H2,1H3/t8-,10+,11+,12-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol?
(2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol has a molecular weight of 254.28 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6R)-2-methyl-6-phenylmethoxyoxane-3,4,5-triol is sourced from PubChem (CID 102303729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).