(2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol

C58H66O11 — CID 10057111

IUPAC(2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol
SMILESCC1(C)OC[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)[C@H](O)C[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)O1
InChIInChI=1S/C58H66O11/c1-58(2)67-41-51(69-58)55(64-37-45-27-15-6-16-28-45)56(65-38-46-29-17-7-18-30-46)52(60)48(59)33-49-53(62-35-43-23-11-4-12-24-43)57(66-39-47-31-19-8-20-32-47)54(63-36-44-25-13-5-14-26-44)50(68-49)40-61-34-42-21-9-3-10-22-42/h3-32,48-57,59-60H,33-41H2,1-2H3/t48-,49-,50-,51+,52-,53+,54-,55-,56-,57-/m1/s1
InChIKeyATXQQXQOXUCRBW-TYGGEZDTSA-N
MW939.16 g/mol
LogP9.16
Rot. Bonds25

About (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol

(2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol (PubChem CID 10057111) has the molecular formula C58H66O11 and a molecular weight of 939.16 g/mol. Its IUPAC name is (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol
PubChem CID10057111
Molecular FormulaC58H66O11
Molecular Weight939.16 g/mol
Exact Mass938.46
IUPAC Name(2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol
SMILESCC1(C)OC[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)[C@H](O)C[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)O1
InChIInChI=1S/C58H66O11/c1-58(2)67-41-51(69-58)55(64-37-45-27-15-6-16-28-45)56(65-38-46-29-17-7-18-30-46)52(60)48(59)33-49-53(62-35-43-23-11-4-12-24-43)57(66-39-47-31-19-8-20-32-47)54(63-36-44-25-13-5-14-26-44)50(68-49)40-61-34-42-21-9-3-10-22-42/h3-32,48-57,59-60H,33-41H2,1-2H3/t48-,49-,50-,51+,52-,53+,54-,55-,56-,57-/m1/s1
InChIKeyATXQQXQOXUCRBW-TYGGEZDTSA-N
XLogP9.16
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500939.16
LogP ≤ 59.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol with MolForge

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Related Compounds

(3S,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butan-2-one
CID 11061583
(2S,3R,4S)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3,4-tris(phenylmethoxy)butan-1-ol
CID 15385583
(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-phenylmethoxypent-4-en-2-ol
CID 134906102
(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
[(1R,2S,3R,4S)-4-hydroxy-1-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentan-3-yl] 3,4,5-trimethoxybenzoate
CID 10034104
[(1R,2S,3R,4S)-4-hydroxy-1-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)-5-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentan-3-yl] 3,4,5-trimethoxybenzoate
CID 10079823
(2S,3S,4R,5R,6R)-2-[2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11226789
[(1R,2S,3R,4R)-4-[(4-methoxyphenyl)methoxy]-1-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)-5-[(2S,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentan-3-yl] acetate
CID 10102576
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(E,1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[[(2S,3R,5Z,7S,8R)-3-phenylmethoxy-2-(phenylmethoxymethyl)-8-prop-2-enyl-3,4,7,8-tetrahydro-2H-oxocin-7-yl]oxy]prop-2-en-1-ol
CID 101454206
1-[(2R,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]propan-2-one
CID 177494460
1-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propane-1,2-diol
CID 155768067

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol?
The IUPAC name of (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol (CID 10057111) is (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol.
What is the SMILES notation for (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol?
The canonical SMILES for (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol is CC1(C)OC[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](O)[C@H](O)C[C@H]2O[C@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)O1.
What is the InChIKey of (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol?
The InChIKey is ATXQQXQOXUCRBW-TYGGEZDTSA-N. The full InChI is InChI=1S/C58H66O11/c1-58(2)67-41-51(69-58)55(64-37-45-27-15-6-16-28-45)56(65-38-46-29-17-7-18-30-46)52(60)48(59)33-49-53(62-35-43-23-11-4-12-24-43)57(66-39-47-31-19-8-20-32-47)54(63-36-44-25-13-5-14-26-44)50(68-49)40-61-34-42-21-9-3-10-22-42/h3-32,48-57,59-60H,33-41H2,1-2H3/t48-,49-,50-,51+,52-,53+,54-,55-,56-,57-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol?
(2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol has a molecular weight of 939.16 g/mol, XLogP of 9.16, 25 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,5-bis(phenylmethoxy)-1-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]pentane-2,3-diol is sourced from PubChem (CID 10057111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).