methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate

C31H50O7 — CID 158577213

IUPACmethyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate
SMILESCC[C@@H](C)[C@@H](C)C1O[C@@](OCC2O[C@H](OC)C(OCc3ccccc3)[C@@H](C)[C@@H]2C)(C(=O)OC)C[C@@H](C)[C@H]1C
InChIInChI=1S/C31H50O7/c1-10-19(2)21(4)27-22(5)20(3)16-31(38-27,30(32)34-9)36-18-26-23(6)24(7)28(29(33-8)37-26)35-17-25-14-12-11-13-15-25/h11-15,19-24,26-29H,10,16-18H2,1-9H3/t19-,20-,21-,22-,23+,24+,26?,27?,28?,29+,31-/m1/s1
InChIKeyHSUPVGUQZHISGO-HGEBSNDSSA-N
MW534.73 g/mol
LogP5.84
Rot. Bonds11

About methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate

methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate (PubChem CID 158577213) has the molecular formula C31H50O7 and a molecular weight of 534.73 g/mol. Its IUPAC name is methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate
PubChem CID158577213
Molecular FormulaC31H50O7
Molecular Weight534.73 g/mol
Exact Mass534.36
IUPAC Namemethyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate
SMILESCC[C@@H](C)[C@@H](C)C1O[C@@](OCC2O[C@H](OC)C(OCc3ccccc3)[C@@H](C)[C@@H]2C)(C(=O)OC)C[C@@H](C)[C@H]1C
InChIInChI=1S/C31H50O7/c1-10-19(2)21(4)27-22(5)20(3)16-31(38-27,30(32)34-9)36-18-26-23(6)24(7)28(29(33-8)37-26)35-17-25-14-12-11-13-15-25/h11-15,19-24,26-29H,10,16-18H2,1-9H3/t19-,20-,21-,22-,23+,24+,26?,27?,28?,29+,31-/m1/s1
InChIKeyHSUPVGUQZHISGO-HGEBSNDSSA-N
XLogP5.84
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.73
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate 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

methyl 2-[[(3S,4S,6R)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-4-hydroxy-5-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 126764300
methyl (2S,4S,5R,6R)-5-[acetyl(benzyl)amino]-2-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4-phenylmethoxy-6-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]oxane-2-carboxylate
CID 101468459
methyl (2R,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylate
CID 10866031
[(2R,4S,5S)-2-[(2S,4S,5S)-2-[[(3R,4S,6R)-4-[(2R,5S,6S)-3-[(2R,5S,6S)-3-acetyloxy-6-ethyl-4,5-dimethyloxan-2-yl]oxy-6-ethyl-4,5-dimethyloxan-2-yl]oxy-3,6-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-6-ethyl-4,5-dimethyloxan-3-yl]oxy-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 149022100
[(2R,3R,4S,5R)-5-[(2S,3S,4R,5R)-5-(benzoyloxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-yl]oxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methyl benzoate
CID 46895699
methyl (2R,4R,5R)-2-[[(3R,4S,6S)-6-[(3S,4R,6S)-5-acetamido-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-(4-methoxyphenoxy)-4,5-dimethyloxan-3-yl]oxy-4-methyloxan-3-yl]oxy-5-acetyloxy-3,4-dimethyloxan-2-yl]methoxy]-6-[(1R,2R)-1,2-diacetyloxybutyl]-4,5-dimethyloxane-2-carboxylate
CID 161397343
[(2S,4S,5S)-6-ethyl-2-[[(3S,4S,6R)-6-(4-methoxy-4-oxobutoxy)-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyloxan-3-yl] benzoate
CID 90429066
methyl (2S,4S,5R,6R)-4-acetyloxy-5-[(2-acetyloxyacetyl)amino]-2-[[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate
CID 101469264
methyl (3aR,4R,6R,7S,7aS)-4-[(2R,3R,4R,5S,6S)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-2-methyl-6-(phenylmethoxymethyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2-carboxylate
CID 10653924
[(2S,3R,4R,5S,6S,7R)-2-methoxy-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)oxepan-3-yl] acetate
CID 101497440
N-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetamide
CID 90113504
3-[(3S,6S)-4-(carboxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-2-yl]propanoic acid
CID 134866369

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate?
The IUPAC name of methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate (CID 158577213) is methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate.
What is the SMILES notation for methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate?
The canonical SMILES for methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate is CC[C@@H](C)[C@@H](C)C1O[C@@](OCC2O[C@H](OC)C(OCc3ccccc3)[C@@H](C)[C@@H]2C)(C(=O)OC)C[C@@H](C)[C@H]1C.
What is the InChIKey of methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate?
The InChIKey is HSUPVGUQZHISGO-HGEBSNDSSA-N. The full InChI is InChI=1S/C31H50O7/c1-10-19(2)21(4)27-22(5)20(3)16-31(38-27,30(32)34-9)36-18-26-23(6)24(7)28(29(33-8)37-26)35-17-25-14-12-11-13-15-25/h11-15,19-24,26-29H,10,16-18H2,1-9H3/t19-,20-,21-,22-,23+,24+,26?,27?,28?,29+,31-/m1/s1.
What are the key properties of methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate?
methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate has a molecular weight of 534.73 g/mol, XLogP of 5.84, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R,5R)-2-[[(3S,4S,6S)-6-methoxy-3,4-dimethyl-5-phenylmethoxyoxan-2-yl]methoxy]-4,5-dimethyl-6-[(2R,3R)-3-methylpentan-2-yl]oxane-2-carboxylate is sourced from PubChem (CID 158577213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).