(2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

C37H42O6 — CID 98170546

IUPAC(2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESC[C@@]1(OCc2ccccc2)[C@@](C)(OCc2ccccc2)[C@H](O)O[C@@H](COCc2ccccc2)[C@@]1(C)OCc1ccccc1
InChIInChI=1S/C37H42O6/c1-35(40-25-30-18-10-5-11-19-30)33(28-39-24-29-16-8-4-9-17-29)43-34(38)36(2,41-26-31-20-12-6-13-21-31)37(35,3)42-27-32-22-14-7-15-23-32/h4-23,33-34,38H,24-28H2,1-3H3/t33-,34+,35+,36-,37-/m0/s1
InChIKeyHPIMISFLESNLJG-OSWUWPNASA-N
MW582.74 g/mol
LogP6.85
Rot. Bonds13

About (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

(2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (PubChem CID 98170546) has the molecular formula C37H42O6 and a molecular weight of 582.74 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
PubChem CID98170546
Molecular FormulaC37H42O6
Molecular Weight582.74 g/mol
Exact Mass582.30
IUPAC Name(2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
SMILESC[C@@]1(OCc2ccccc2)[C@@](C)(OCc2ccccc2)[C@H](O)O[C@@H](COCc2ccccc2)[C@@]1(C)OCc1ccccc1
InChIInChI=1S/C37H42O6/c1-35(40-25-30-18-10-5-11-19-30)33(28-39-24-29-16-8-4-9-17-29)43-34(38)36(2,41-26-31-20-12-6-13-21-31)37(35,3)42-27-32-22-14-7-15-23-32/h4-23,33-34,38H,24-28H2,1-3H3/t33-,34+,35+,36-,37-/m0/s1
InChIKeyHPIMISFLESNLJG-OSWUWPNASA-N
XLogP6.85
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.74
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S,5R)-3,4-dibenzyl-5-(phenylmethoxymethyl)oxolane-2,3,4-triol
CID 141224072
(2S,3R,4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 118108846
(4R,5R)-3-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 163445838
(1R,5S,6R,8R)-5-phenylmethoxy-6-(phenylmethoxymethyl)-2,7-dioxabicyclo[3.2.1]octan-8-ol
CID 53243554
(2R,4Z,8R,9R)-N,N,4,8-tetramethyl-8-phenylmethoxy-9-(phenylmethoxymethyl)-3,6,7,9-tetrahydro-2H-oxonine-2-carboxamide
CID 135023732
methyl (2S,5R)-5-hydroxy-3-methyl-2-(phenylmethoxymethyl)oxolane-3-carboxylate
CID 91242398
(3S,4R,5S,6S)-6-(phenylmethoxymethyl)oxane-2,3,4,5-tetrol
CID 90672360
(2R,3S,4R,5R)-2,3-dimethyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
CID 58759413
(2S,3R,4R,5R)-3,4-dibenzyl-3,4-dihydroxy-5-(phenylmethoxymethyl)oxolane-2-carboxylic acid
CID 141184426
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(3aS,4R,7aS)-7-fluoro-2,2-dimethyl-4-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-ol
CID 101336247
(3R,4S,5R,6R)-3,4-dibenzyl-5-phenylmethoxy-6-(phenylmethoxymethyl)oxane-2,3,4-triol
CID 18664957

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol (CID 98170546) is (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is C[C@@]1(OCc2ccccc2)[C@@](C)(OCc2ccccc2)[C@H](O)O[C@@H](COCc2ccccc2)[C@@]1(C)OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
The InChIKey is HPIMISFLESNLJG-OSWUWPNASA-N. The full InChI is InChI=1S/C37H42O6/c1-35(40-25-30-18-10-5-11-19-30)33(28-39-24-29-16-8-4-9-17-29)43-34(38)36(2,41-26-31-20-12-6-13-21-31)37(35,3)42-27-32-22-14-7-15-23-32/h4-23,33-34,38H,24-28H2,1-3H3/t33-,34+,35+,36-,37-/m0/s1.
What are the key properties of (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol?
(2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol has a molecular weight of 582.74 g/mol, XLogP of 6.85, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-3,4,5-trimethyl-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol is sourced from PubChem (CID 98170546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).