(2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one

C49H54O10 — CID 102230376

IUPAC(2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one
SMILESCO[C@H]1O[C@H](CO[C@H]2CCC(=O)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C49H54O10/c1-51-49-48(57-33-40-25-15-6-16-26-40)47(56-32-39-23-13-5-14-24-39)46(55-31-38-21-11-4-12-22-38)43(59-49)35-53-44-28-27-41(50)45(54-30-37-19-9-3-10-20-37)42(58-44)34-52-29-36-17-7-2-8-18-36/h2-26,42-49H,27-35H2,1H3/t42-,43-,44-,45+,46-,47+,48-,49+/m1/s1
InChIKeySIXRDGGZPUWBCM-VZQNJMBISA-N
MW802.96 g/mol
LogP8.01
Rot. Bonds20

About (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one

(2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one (PubChem CID 102230376) has the molecular formula C49H54O10 and a molecular weight of 802.96 g/mol. Its IUPAC name is (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one.

Molecular Properties

Compound Name(2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one
PubChem CID102230376
Molecular FormulaC49H54O10
Molecular Weight802.96 g/mol
Exact Mass802.37
IUPAC Name(2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one
SMILESCO[C@H]1O[C@H](CO[C@H]2CCC(=O)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C49H54O10/c1-51-49-48(57-33-40-25-15-6-16-26-40)47(56-32-39-23-13-5-14-24-39)46(55-31-38-21-11-4-12-22-38)43(59-49)35-53-44-28-27-41(50)45(54-30-37-19-9-3-10-20-37)42(58-44)34-52-29-36-17-7-2-8-18-36/h2-26,42-49H,27-35H2,1H3/t42-,43-,44-,45+,46-,47+,48-,49+/m1/s1
InChIKeySIXRDGGZPUWBCM-VZQNJMBISA-N
XLogP8.01
TPSA100.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds20
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.96
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one with MolForge

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Launch Full Analysis

Related Compounds

(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(2S,3R,4R,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]peroxyoxane
CID 100959674
(2S,3R,4S,5S,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-[[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 14018148
(2R,3R,4S,5R,6R)-2-methoxy-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101143250
(2S,3S,4S,5R,6R)-2-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 102027655
[(2S,3S,4S,5R,6R)-2-[[(2R,3R,4S,5S,6S)-6-[[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 25193340
(2S,4S,5S)-2-methyl-3,4,5-tris(phenylmethoxy)-6-[[(2R,4S,5S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 146032483
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769

Frequently Asked Questions

What is the IUPAC name of (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one?
The IUPAC name of (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one (CID 102230376) is (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one.
What is the SMILES notation for (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one?
The canonical SMILES for (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one is CO[C@H]1O[C@H](CO[C@H]2CCC(=O)[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)O2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one?
The InChIKey is SIXRDGGZPUWBCM-VZQNJMBISA-N. The full InChI is InChI=1S/C49H54O10/c1-51-49-48(57-33-40-25-15-6-16-26-40)47(56-32-39-23-13-5-14-24-39)46(55-31-38-21-11-4-12-22-38)43(59-49)35-53-44-28-27-41(50)45(54-30-37-19-9-3-10-20-37)42(58-44)34-52-29-36-17-7-2-8-18-36/h2-26,42-49H,27-35H2,1H3/t42-,43-,44-,45+,46-,47+,48-,49+/m1/s1.
What are the key properties of (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one?
(2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one has a molecular weight of 802.96 g/mol, XLogP of 8.01, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,7R)-7-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)oxepan-4-one is sourced from PubChem (CID 102230376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).