[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate

C30H31Cl3O8 — CID 15038232

IUPAC[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate
SMILESO=C(OC[C@H]1OC(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C30H31Cl3O8/c31-30(32,33)20-40-29(35)39-19-24-25(36-16-21-10-4-1-5-11-21)26(37-17-22-12-6-2-7-13-22)27(28(34)41-24)38-18-23-14-8-3-9-15-23/h1-15,24-28,34H,16-20H2/t24-,25-,26+,27-,28?/m1/s1
InChIKeyFFXHIPPKWJHSBJ-GJMNKMQNSA-N
MW625.93 g/mol
LogP5.98
Rot. Bonds12

About [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate

[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate (PubChem CID 15038232) has the molecular formula C30H31Cl3O8 and a molecular weight of 625.93 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate
PubChem CID15038232
Molecular FormulaC30H31Cl3O8
Molecular Weight625.93 g/mol
Exact Mass624.11
IUPAC Name[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate
SMILESO=C(OC[C@H]1OC(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C30H31Cl3O8/c31-30(32,33)20-40-29(35)39-19-24-25(36-16-21-10-4-1-5-11-21)26(37-17-22-12-6-2-7-13-22)27(28(34)41-24)38-18-23-14-8-3-9-15-23/h1-15,24-28,34H,16-20H2/t24-,25-,26+,27-,28?/m1/s1
InChIKeyFFXHIPPKWJHSBJ-GJMNKMQNSA-N
XLogP5.98
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.93
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S,4S,6R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
CID 153310904
2,2,2-trichloroethyl N-[(3R,4R,5S,6R)-2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]carbamate
CID 163299962
[(2R,3R,4R,5S)-3-acetyloxy-6-hydroxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 171137897
benzyl [(2R,3S,4R,5R)-3-bis(phenylmethoxy)phosphoryloxy-6-hydroxy-4-phenylmethoxy-5-(2,2,2-trichloroethoxycarbonylamino)oxan-2-yl]methyl carbonate
CID 163300004
(2S,3R,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076623
(2R,3R,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 12933787
(2S,3R,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 67076892
3-[[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]propanoic acid
CID 56935221
(3R,4R,5R)-5-(methoxymethyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 54024866
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
[(2R,3R,4S,5R,6S)-3,5,6-trihydroxy-4-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 90801317
[(2R,3R,4S,5R)-3,5,6-trihydroxy-4-phenylmethoxyoxan-2-yl]methyl 2,2-dimethylpropanoate
CID 91326199

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate?
The IUPAC name of [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate (CID 15038232) is [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate.
What is the SMILES notation for [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate?
The canonical SMILES for [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate is O=C(OC[C@H]1OC(O)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1)OCC(Cl)(Cl)Cl.
What is the InChIKey of [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate?
The InChIKey is FFXHIPPKWJHSBJ-GJMNKMQNSA-N. The full InChI is InChI=1S/C30H31Cl3O8/c31-30(32,33)20-40-29(35)39-19-24-25(36-16-21-10-4-1-5-11-21)26(37-17-22-12-6-2-7-13-22)27(28(34)41-24)38-18-23-14-8-3-9-15-23/h1-15,24-28,34H,16-20H2/t24-,25-,26+,27-,28?/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate?
[(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate has a molecular weight of 625.93 g/mol, XLogP of 5.98, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-6-hydroxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl 2,2,2-trichloroethyl carbonate is sourced from PubChem (CID 15038232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).