1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone

C35H36O6 — CID 68987679

IUPAC1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone
SMILESCC(=O)[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C35H36O6/c1-26(36)31-32(37-22-27-14-6-2-7-15-27)33(38-23-28-16-8-3-9-17-28)34(39-24-29-18-10-4-11-19-29)35(41-31)40-25-30-20-12-5-13-21-30/h2-21,31-35H,22-25H2,1H3/t31-,32-,33+,34-,35-/m1/s1
InChIKeySDSKAVFYKVPTLR-CKQPALCZSA-N
MW552.67 g/mol
LogP6.27
Rot. Bonds13

About 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone

1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone (PubChem CID 68987679) has the molecular formula C35H36O6 and a molecular weight of 552.67 g/mol. Its IUPAC name is 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone
PubChem CID68987679
Molecular FormulaC35H36O6
Molecular Weight552.67 g/mol
Exact Mass552.25
IUPAC Name1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone
SMILESCC(=O)[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C35H36O6/c1-26(36)31-32(37-22-27-14-6-2-7-15-27)33(38-23-28-16-8-3-9-17-28)34(39-24-29-18-10-4-11-19-29)35(41-31)40-25-30-20-12-5-13-21-30/h2-21,31-35H,22-25H2,1H3/t31-,32-,33+,34-,35-/m1/s1
InChIKeySDSKAVFYKVPTLR-CKQPALCZSA-N
XLogP6.27
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.67
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone with MolForge

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Related Compounds

(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid
CID 56606677
(2S,3S,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane-2-carboxylic acid
CID 14393012
benzyl (2S,3R,4R,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
CID 171395752
2-methoxy-1-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanone
CID 71619662
[(2S,3R,4S,5S,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 91699912
[(2R,3S,4R,5R,6R)-2,6-diacetyloxy-4,5-bis(phenylmethoxy)oxan-3-yl] acetate
CID 11754556
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
(2S,3R,4R,5S)-N-(2-methylsulfanylphenyl)-3,4,5-tris(phenylmethoxy)oxolane-2-carboxamide
CID 177442623
1-[(3S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanol
CID 134423079
[(2R)-1-oxo-1-[[(2S)-1-phenylpropan-2-yl]amino]propan-2-yl] 3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylate
CID 140635567
methyl (2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5R,6S)-5-acetyloxy-6-methoxycarbonyl-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-prop-2-enoxyoxane-2-carboxylate
CID 101152555
[(2S,3S,4R,5R,6R)-4,5-diacetyloxy-2-methyl-6-phenylmethoxyoxan-3-yl] acetate
CID 2747755

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone?
The IUPAC name of 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone (CID 68987679) is 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone?
The canonical SMILES for 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone is CC(=O)[C@H]1O[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone?
The InChIKey is SDSKAVFYKVPTLR-CKQPALCZSA-N. The full InChI is InChI=1S/C35H36O6/c1-26(36)31-32(37-22-27-14-6-2-7-15-27)33(38-23-28-16-8-3-9-17-28)34(39-24-29-18-10-4-11-19-29)35(41-31)40-25-30-20-12-5-13-21-30/h2-21,31-35H,22-25H2,1H3/t31-,32-,33+,34-,35-/m1/s1.
What are the key properties of 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone?
1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone has a molecular weight of 552.67 g/mol, XLogP of 6.27, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone is sourced from PubChem (CID 68987679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).