(2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane

C27H30O4 — CID 10432172

IUPAC(2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
SMILESC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H30O4/c1-21-26(29-18-23-13-7-3-8-14-23)27(30-19-24-15-9-4-10-16-24)25(31-21)20-28-17-22-11-5-2-6-12-22/h2-16,21,25-27H,17-20H2,1H3/t21-,25-,26-,27-/m1/s1
InChIKeyXODRYYBCVMDSPP-HHPVDLARSA-N
MW418.53 g/mol
LogP5.16
Rot. Bonds10

About (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane

(2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane (PubChem CID 10432172) has the molecular formula C27H30O4 and a molecular weight of 418.53 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
PubChem CID10432172
Molecular FormulaC27H30O4
Molecular Weight418.53 g/mol
Exact Mass418.21
IUPAC Name(2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane
SMILESC[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C27H30O4/c1-21-26(29-18-23-13-7-3-8-14-23)27(30-19-24-15-9-4-10-16-24)25(31-21)20-28-17-22-11-5-2-6-12-22/h2-16,21,25-27H,17-20H2,1H3/t21-,25-,26-,27-/m1/s1
InChIKeyXODRYYBCVMDSPP-HHPVDLARSA-N
XLogP5.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.53
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane with MolForge

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Related Compounds

Tribenoside
CID 196122
(2R,3S,4S,5R)-1,2,5,6-tetrakis(benzyloxy)hexane-3,4-diol
CID 3011252
Ethylene Glycol Dibenzyl Ether
CID 222542
Methyl 2,3,4-tri-O-benzyl-alpha-D-glucopyranoside
CID 11190476
Glyvenol
CID 5557
(2R,3S,4S,5R)-1,2,5,6-tetrakis[(4-methylphenyl)methoxy]hexane-3,4-diol
CID 3011253
(2R,3S,4S,5R)-1,6-dibenzyloxy-2,5-bis(p-tolylmethoxy)hexane-3,4-diol
CID 3011265
(2R,3S,4S,5R)-2,5-dibenzyloxy-1,6-bis(p-tolylmethoxy)hexane-3,4-diol
CID 3011280
(2S,3R,4S,5S)-5-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2-ethoxy-4-phenylmethoxyoxolan-3-ol
CID 6604335
ethyl 3,5,6-tris-O-(phenylmethyl)-beta-D-glucofuranoside
CID 5284629
2,3-Diphenyl-1,4-dioxane
CID 271103
(R)-Glycidyl Trityl Ether
CID 2734442

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The IUPAC name of (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane (CID 10432172) is (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane.
What is the SMILES notation for (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The canonical SMILES for (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane is C[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
The InChIKey is XODRYYBCVMDSPP-HHPVDLARSA-N. The full InChI is InChI=1S/C27H30O4/c1-21-26(29-18-23-13-7-3-8-14-23)27(30-19-24-15-9-4-10-16-24)25(31-21)20-28-17-22-11-5-2-6-12-22/h2-16,21,25-27H,17-20H2,1H3/t21-,25-,26-,27-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane?
(2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane has a molecular weight of 418.53 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane is sourced from PubChem (CID 10432172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).