(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol

C16H24O6 — CID 172863653

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol
SMILESCC(C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C16H24O6/c1-16(2,10-6-4-3-5-7-10)9-21-15-14(20)13(19)12(18)11(8-17)22-15/h3-7,11-15,17-20H,8-9H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyZRRRLZBYPCXNLN-UXXRCYHCSA-N
MW312.36 g/mol
LogP-0.22
Rot. Bonds5

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol (PubChem CID 172863653) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol
PubChem CID172863653
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol
SMILESCC(C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=1S/C16H24O6/c1-16(2,10-6-4-3-5-7-10)9-21-15-14(20)13(19)12(18)11(8-17)22-15/h3-7,11-15,17-20H,8-9H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1
InChIKeyZRRRLZBYPCXNLN-UXXRCYHCSA-N
XLogP-0.22
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-(2,2,2-triphenylethoxy)oxane-3,4,5-triol
CID 174562142
(2S,4S,5S)-2-(2,2-dimethylpropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160852140
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2R,3S,4R)-2-(hydroxymethyl)-5-trityloxyoxolane-3,4-diol
CID 54540379
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol
CID 174963793
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
2-[6-[3-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2-methylpropoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 76694994
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2R,4S,5S)-2-[2-[[2-[2,2-bis[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hexyl]phenyl]methyl]-2-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]hexoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 140913605
(4R,6S)-2-(hydroxymethyl)-6-phenoxyoxane-3,4,5-triol
CID 51340684
(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(1R)-2,2-dimethyl-1-phenylpropoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66960559

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol (CID 172863653) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol is CC(C)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol?
The InChIKey is ZRRRLZBYPCXNLN-UXXRCYHCSA-N. The full InChI is InChI=1S/C16H24O6/c1-16(2,10-6-4-3-5-7-10)9-21-15-14(20)13(19)12(18)11(8-17)22-15/h3-7,11-15,17-20H,8-9H2,1-2H3/t11-,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol has a molecular weight of 312.36 g/mol, XLogP of -0.22, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(2-methyl-2-phenylpropoxy)oxane-3,4,5-triol is sourced from PubChem (CID 172863653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).