[(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol

C34H43NO8 — CID 134864928

IUPAC[(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol
SMILESCOC1OC(CN2C[C@@H](CO)O[C@H](OC)C2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H43NO8/c1-37-30-20-35(18-28(21-36)42-30)19-29-31(39-22-25-12-6-3-7-13-25)32(40-23-26-14-8-4-9-15-26)33(34(38-2)43-29)41-24-27-16-10-5-11-17-27/h3-17,28-34,36H,18-24H2,1-2H3/t28-,29?,30-,31?,32?,33?,34?/m0/s1
InChIKeyOXCVAFUMQAOFRS-YAMISSKSSA-N
MW593.72 g/mol
LogP3.78
Rot. Bonds14

About [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol

[(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol (PubChem CID 134864928) has the molecular formula C34H43NO8 and a molecular weight of 593.72 g/mol. Its IUPAC name is [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol
PubChem CID134864928
Molecular FormulaC34H43NO8
Molecular Weight593.72 g/mol
Exact Mass593.30
IUPAC Name[(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol
SMILESCOC1OC(CN2C[C@@H](CO)O[C@H](OC)C2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C34H43NO8/c1-37-30-20-35(18-28(21-36)42-30)19-29-31(39-22-25-12-6-3-7-13-25)32(40-23-26-14-8-4-9-15-26)33(34(38-2)43-29)41-24-27-16-10-5-11-17-27/h3-17,28-34,36H,18-24H2,1-2H3/t28-,29?,30-,31?,32?,33?,34?/m0/s1
InChIKeyOXCVAFUMQAOFRS-YAMISSKSSA-N
XLogP3.78
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-Methoxy-2-methyl-5-(4-methylpiperazin-1-yl)-2-(4-phenylphenyl)tetrahydropyran-3-ol
CID 5271563
6-Methoxy-2-methyl-5-morpholino-2-(4-phenylphenyl)tetrahydropyran-3-ol
CID 5271564
(2S,6R,7S)-2-(hydroxymethyl)-7-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]-1,4-oxazepan-6-ol
CID 21573885
[(2R,3S,4S,5R)-5-acetamido-3-acetoxy-6-hydroxy-4-[(2S,3R,4R,5S,6S)-3,4,5-tribenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl acetate
CID 511036
8-Indolizinol, octahydro-1,6,7-tris(phenylmethoxy)-, 1S-(1alpha,6beta,7alpha,8beta,8abeta)-
CID 97545952
1-Deoxy-1-(butyl((phenylmethoxy)carbonyl)amino)-2,3,4,6-tetrakis-O-(phenylmethyl)-D-galactitol
CID 165340806
N-[3-[(2R,3R,4R,5S,6R)-3-acetamido-4-phenylmethoxy-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropyl]-2,2,2-trifluoroacetamide
CID 91321792
(2S,3R,4S,5R)-4-[fluoro-[(2S,3R,4S,5R)-3-hydroxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]amino]-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 134883551
methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside
CID 11202043
(2R,3R,4R,5R,6S)-5-azido-6-[(2R,3R,4S,5R,6R)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-(2-trimethylsilylethoxy)oxan-3-yl]oxy-2-(phenylmethoxymethyl)oxane-3,4-diol
CID 15224253
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
CID 143334612
1-[(2R,3R,4R,5S)-1-[2-(2-fluorophenyl)ethyl]-3,4,5-tris(phenylmethoxy)piperidin-2-yl]propan-1-ol
CID 155721021

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol?
The IUPAC name of [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol (CID 134864928) is [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol is COC1OC(CN2C[C@@H](CO)O[C@H](OC)C2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol?
The InChIKey is OXCVAFUMQAOFRS-YAMISSKSSA-N. The full InChI is InChI=1S/C34H43NO8/c1-37-30-20-35(18-28(21-36)42-30)19-29-31(39-22-25-12-6-3-7-13-25)32(40-23-26-14-8-4-9-15-26)33(34(38-2)43-29)41-24-27-16-10-5-11-17-27/h3-17,28-34,36H,18-24H2,1-2H3/t28-,29?,30-,31?,32?,33?,34?/m0/s1.
What are the key properties of [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol?
[(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol has a molecular weight of 593.72 g/mol, XLogP of 3.78, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 134864928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).