(4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol

C34H36O6 — CID 101390620

IUPAC(4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol
SMILESOC1C[C@@H](OCc2ccccc2)[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C34H36O6/c35-30-21-29(37-22-25-13-5-1-6-14-25)32(40-30)34(39-24-27-17-9-3-10-18-27)33(31(36)28-19-11-4-12-20-28)38-23-26-15-7-2-8-16-26/h1-20,29-36H,21-24H2/t29-,30?,31-,32+,33-,34-/m1/s1
InChIKeyVNOBCHKTQWSTRJ-MJVOCQKSSA-N
MW540.66 g/mol
LogP5.58
Rot. Bonds13

About (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol

(4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol (PubChem CID 101390620) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol.

Molecular Properties

Compound Name(4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol
PubChem CID101390620
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name(4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol
SMILESOC1C[C@@H](OCc2ccccc2)[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)c2ccccc2)O1
InChIInChI=1S/C34H36O6/c35-30-21-29(37-22-25-13-5-1-6-14-25)32(40-30)34(39-24-27-17-9-3-10-18-27)33(31(36)28-19-11-4-12-20-28)38-23-26-15-7-2-8-16-26/h1-20,29-36H,21-24H2/t29-,30?,31-,32+,33-,34-/m1/s1
InChIKeyVNOBCHKTQWSTRJ-MJVOCQKSSA-N
XLogP5.58
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol with MolForge

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Related Compounds

(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(2S,4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(trifluoromethyl)oxan-2-ol
CID 67569911
(2R,3S)-3-hydroxy-2-[(1R,2R)-2-hydroxy-2-phenyl-1-phenylmethoxyethyl]-2,3-dihydropyran-6-one
CID 10617106
methyl (2S,3S)-3-[(1R,2S,3R)-4-hydroxy-1,2,3-tris(phenylmethoxy)butyl]oxirane-2-carboxylate
CID 10505291
(1S,2R,4S,5R)-2,4-bis(phenylmethoxy)-6-oxabicyclo[3.1.0]hexane
CID 15567135
(2S,3S,4R,6S)-6-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 10042151
(S)-phenyl-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 10908343
3-[hydroxy(phenylmethoxy)methyl]cyclobutan-1-ol
CID 137373862
4-amino-5-phenylmethoxyoxolan-2-ol
CID 163839352
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 71530577
[(2R,3R,4R)-6-hydroxy-2-methyl-4-phenylmethoxyoxan-3-yl] benzoate
CID 14768720

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol?
The IUPAC name of (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol (CID 101390620) is (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol.
What is the SMILES notation for (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol?
The canonical SMILES for (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol is OC1C[C@@H](OCc2ccccc2)[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)c2ccccc2)O1.
What is the InChIKey of (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol?
The InChIKey is VNOBCHKTQWSTRJ-MJVOCQKSSA-N. The full InChI is InChI=1S/C34H36O6/c35-30-21-29(37-22-25-13-5-1-6-14-25)32(40-30)34(39-24-27-17-9-3-10-18-27)33(31(36)28-19-11-4-12-20-28)38-23-26-15-7-2-8-16-26/h1-20,29-36H,21-24H2/t29-,30?,31-,32+,33-,34-/m1/s1.
What are the key properties of (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol?
(4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol has a molecular weight of 540.66 g/mol, XLogP of 5.58, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-[(1S,2R,3R)-3-hydroxy-3-phenyl-1,2-bis(phenylmethoxy)propyl]-4-phenylmethoxyoxolan-2-ol is sourced from PubChem (CID 101390620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).