6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol

C39H50O14 — CID 91325506

IUPAC6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol
SMILESCC1OC(OC2C(OC3C(CO)OCC(O)C3O)OC(CO)C(O)C2O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C39H50O14/c1-23-33(47-19-24-11-5-2-6-12-24)36(48-20-25-13-7-3-8-14-25)37(49-21-26-15-9-4-10-16-26)39(50-23)53-35-32(45)31(44)28(17-40)51-38(35)52-34-29(18-41)46-22-27(42)30(34)43/h2-16,23,27-45H,17-22H2,1H3
InChIKeyHZGXYPKCGHKGRG-UHFFFAOYSA-N
MW742.82 g/mol
LogP0.81
Rot. Bonds15

About 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol

6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol (PubChem CID 91325506) has the molecular formula C39H50O14 and a molecular weight of 742.82 g/mol. Its IUPAC name is 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol.

Molecular Properties

Compound Name6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol
PubChem CID91325506
Molecular FormulaC39H50O14
Molecular Weight742.82 g/mol
Exact Mass742.32
IUPAC Name6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol
SMILESCC1OC(OC2C(OC3C(CO)OCC(O)C3O)OC(CO)C(O)C2O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C39H50O14/c1-23-33(47-19-24-11-5-2-6-12-24)36(48-20-25-13-7-3-8-14-25)37(49-21-26-15-9-4-10-16-26)39(50-23)53-35-32(45)31(44)28(17-40)51-38(35)52-34-29(18-41)46-22-27(42)30(34)43/h2-16,23,27-45H,17-22H2,1H3
InChIKeyHZGXYPKCGHKGRG-UHFFFAOYSA-N
XLogP0.81
TPSA195.22 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500742.82
LogP ≤ 50.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol with MolForge

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Related Compounds

(2R,3S,4S,5S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 162899851
2-[4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 74378451
(2S,3S,4S,5S,6R)-6-[(2R,3R,4R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 99694818
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(3S,4R,6S)-5-amino-6-[(2S,4S,5S)-2,6-dimethyl-5-phenylmethoxy-4-[(2R,5R,6S)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 89022074
[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 170405483
6-methyl-2-[6-methyl-2,4,5-tris(phenylmethoxy)oxan-3-yl]oxy-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4-phenylmethoxyoxan-3-ol
CID 163088861
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 69266562
(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
3-methyl-2-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxycyclohexan-1-ol
CID 118424571
(2S,3S,4S,5S,6S)-6-(hydroxymethyl)-3-phenylmethoxyoxane-2,4,5-triol
CID 91699471
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522

Frequently Asked Questions

What is the IUPAC name of 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol?
The IUPAC name of 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol (CID 91325506) is 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol.
What is the SMILES notation for 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol?
The canonical SMILES for 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol is CC1OC(OC2C(OC3C(CO)OCC(O)C3O)OC(CO)C(O)C2O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol?
The InChIKey is HZGXYPKCGHKGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50O14/c1-23-33(47-19-24-11-5-2-6-12-24)36(48-20-25-13-7-3-8-14-25)37(49-21-26-15-9-4-10-16-26)39(50-23)53-35-32(45)31(44)28(17-40)51-38(35)52-34-29(18-41)46-22-27(42)30(34)43/h2-16,23,27-45H,17-22H2,1H3.
What are the key properties of 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol?
6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol has a molecular weight of 742.82 g/mol, XLogP of 0.81, 15 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-5-[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxyoxane-3,4-diol is sourced from PubChem (CID 91325506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).