(3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol

C61H64O11 — CID 102322596

IUPAC(3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol
SMILESOC1(COCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C61H64O11/c62-61(45-65-38-48-26-12-3-13-27-48)59(56(67-40-50-30-16-5-17-31-50)54(72-61)44-64-37-47-24-10-2-11-25-47)71-60-58(69-42-52-34-20-7-21-35-52)57(68-41-51-32-18-6-19-33-51)55(66-39-49-28-14-4-15-29-49)53(70-60)43-63-36-46-22-8-1-9-23-46/h1-35,53-60,62H,36-45H2/t53-,54-,55-,56-,57+,58-,59+,60+,61?/m1/s1
InChIKeyBEDRBHBCLFHUSG-UCFJZQLFSA-N
MW973.17 g/mol
LogP10.18
Rot. Bonds26

About (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol

(3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol (PubChem CID 102322596) has the molecular formula C61H64O11 and a molecular weight of 973.17 g/mol. Its IUPAC name is (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol.

Molecular Properties

Compound Name(3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol
PubChem CID102322596
Molecular FormulaC61H64O11
Molecular Weight973.17 g/mol
Exact Mass972.44
IUPAC Name(3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol
SMILESOC1(COCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C61H64O11/c62-61(45-65-38-48-26-12-3-13-27-48)59(56(67-40-50-30-16-5-17-31-50)54(72-61)44-64-37-47-24-10-2-11-25-47)71-60-58(69-42-52-34-20-7-21-35-52)57(68-41-51-32-18-6-19-33-51)55(66-39-49-28-14-4-15-29-49)53(70-60)43-63-36-46-22-8-1-9-23-46/h1-35,53-60,62H,36-45H2/t53-,54-,55-,56-,57+,58-,59+,60+,61?/m1/s1
InChIKeyBEDRBHBCLFHUSG-UCFJZQLFSA-N
XLogP10.18
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.17
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol with MolForge

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Related Compounds

(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 56651177
(2R,3R,4S,5S)-2-[[(2S,3S,4R,5R)-2-[[(2S,3R,4S,5S)-2-[[(2S,3R,4S,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2-[[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxolan-2-yl]oxymethyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 177414600
2,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 3665979
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
[(3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] hypofluorite
CID 101133508
(2R,3R,4S,5R,6S)-2-[[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolan-2-yl]oxymethyl]-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102575541
(2R,3S,5R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-3-[(2R,3S,5R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 158301816
(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
(3S,4R,5R,6R)-2-methyl-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane
CID 167040761
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol?
The IUPAC name of (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol (CID 102322596) is (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol.
What is the SMILES notation for (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol?
The canonical SMILES for (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol is OC1(COCc2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1O[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol?
The InChIKey is BEDRBHBCLFHUSG-UCFJZQLFSA-N. The full InChI is InChI=1S/C61H64O11/c62-61(45-65-38-48-26-12-3-13-27-48)59(56(67-40-50-30-16-5-17-31-50)54(72-61)44-64-37-47-24-10-2-11-25-47)71-60-58(69-42-52-34-20-7-21-35-52)57(68-41-51-32-18-6-19-33-51)55(66-39-49-28-14-4-15-29-49)53(70-60)43-63-36-46-22-8-1-9-23-46/h1-35,53-60,62H,36-45H2/t53-,54-,55-,56-,57+,58-,59+,60+,61?/m1/s1.
What are the key properties of (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol?
(3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol has a molecular weight of 973.17 g/mol, XLogP of 10.18, 26 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-4-phenylmethoxy-2,5-bis(phenylmethoxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxolan-2-ol is sourced from PubChem (CID 102322596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).