[(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

C32H40O6 — CID 139492016

IUPAC[(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
SMILESCCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C32H40O6/c1-3-13-24(2)37-32-31(36-23-27-18-11-6-12-19-27)30(35-22-26-16-9-5-10-17-26)29(28(20-33)38-32)34-21-25-14-7-4-8-15-25/h4-12,14-19,24,28-33H,3,13,20-23H2,1-2H3/t24-,28-,29-,30+,31-,32-/m1/s1
InChIKeyLVHYOPOUIHUYSM-LXEVNVBBSA-N
MW520.67 g/mol
LogP5.66
Rot. Bonds14

About [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

[(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol (PubChem CID 139492016) has the molecular formula C32H40O6 and a molecular weight of 520.67 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
PubChem CID139492016
Molecular FormulaC32H40O6
Molecular Weight520.67 g/mol
Exact Mass520.28
IUPAC Name[(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
SMILESCCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C32H40O6/c1-3-13-24(2)37-32-31(36-23-27-18-11-6-12-19-27)30(35-22-26-16-9-5-10-17-26)29(28(20-33)38-32)34-21-25-14-7-4-8-15-25/h4-12,14-19,24,28-33H,3,13,20-23H2,1-2H3/t24-,28-,29-,30+,31-,32-/m1/s1
InChIKeyLVHYOPOUIHUYSM-LXEVNVBBSA-N
XLogP5.66
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
[(2R,3R,4S,5R,6S)-6-phenoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 101199897
[(3R,6S)-6-[[(3R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 163470543
[(2R,3R,4S,5R,6S)-5-[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11365130
[(2R,3S,4R,5S,6R)-6-pent-1-ynyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11641847
[(2R,3S,4S,5R)-6-fluoro-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 11576051
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
(3R,4S,5R,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-3,4-bis(phenylmethoxy)oxan-2-ol
CID 91602456
[(2R,3R,4S,5R,6R)-6-methoxy-4,5-bis[(4-methoxyphenyl)methoxy]-3-phenylmethoxyoxan-2-yl]methanol
CID 101181245
[(2R,3R,4S,5R,6R)-6-methoxy-5-[(4-methoxyphenyl)methoxy]-3,4-bis(phenylmethoxy)oxan-2-yl]methanol
CID 101103346
[(2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-ynoxyoxan-2-yl]methanol
CID 102412962

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol (CID 139492016) is [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol is CCC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
The InChIKey is LVHYOPOUIHUYSM-LXEVNVBBSA-N. The full InChI is InChI=1S/C32H40O6/c1-3-13-24(2)37-32-31(36-23-27-18-11-6-12-19-27)30(35-22-26-16-9-5-10-17-26)29(28(20-33)38-32)34-21-25-14-7-4-8-15-25/h4-12,14-19,24,28-33H,3,13,20-23H2,1-2H3/t24-,28-,29-,30+,31-,32-/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol?
[(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol has a molecular weight of 520.67 g/mol, XLogP of 5.66, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6R)-6-[(2R)-pentan-2-yl]oxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol is sourced from PubChem (CID 139492016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).