N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

C29H33NO5 — CID 119077344

IUPACN-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILES[2H][C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O
InChIInChI=1S/C29H33NO5/c1-22(31)30-26-20-33-27(21-32-17-23-11-5-2-6-12-23)29(35-19-25-15-9-4-10-16-25)28(26)34-18-24-13-7-3-8-14-24/h2-16,26-29H,17-21H2,1H3,(H,30,31)/t26-,27+,28+,29+/m0/s1/i20D/t20-,26+,27-,28-,29-/m1
InChIKeyUGGGQFGIBNSDGS-PCWDVMRQSA-N
MW476.59 g/mol
LogP4.28
Rot. Bonds11

About N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide

N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (PubChem CID 119077344) has the molecular formula C29H33NO5 and a molecular weight of 476.59 g/mol. Its IUPAC name is N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
PubChem CID119077344
Molecular FormulaC29H33NO5
Molecular Weight476.59 g/mol
Exact Mass476.24
IUPAC NameN-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
SMILES[2H][C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O
InChIInChI=1S/C29H33NO5/c1-22(31)30-26-20-33-27(21-32-17-23-11-5-2-6-12-23)29(35-19-25-15-9-4-10-16-25)28(26)34-18-24-13-7-3-8-14-24/h2-16,26-29H,17-21H2,1H3,(H,30,31)/t26-,27+,28+,29+/m0/s1/i20D/t20-,26+,27-,28-,29-/m1
InChIKeyUGGGQFGIBNSDGS-PCWDVMRQSA-N
XLogP4.28
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
Acetic acid 3-acetoxy-2-acetoxymethyl-5-acetylamino-6-benzyloxy-tetrahydro-pyran-4-yl ester
CID 538461
alpha-D-Glucopyranose, 2-(acetylamino)-2-deoxy-6-O-(triphenylmethyl)-, 1,3,4-triacetate
CID 2817438
[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-6-prop-2-enoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11273307
benzyl (2S,4R)-2-[(4S)-2,2-diphenyl-1,3-dioxolan-4-yl]-4-(methylamino)piperidine-1-carboxylate
CID 90666218
benzyl 2-acetamido-2-deoxy-3-O-(2-O-methyl-beta-galactosyl)-beta-glucopyranoside
CID 3035538
[(2R,3S,4S,5R)-5-acetamido-3-acetoxy-4-[(2S,3R,4R,6S)-3,4-dibenzyloxy-6-methyl-tetrahydropyran-2-yl]oxy-6-hydroxy-tetrahydropyran-2-yl]methyl acetate
CID 511034
[(2R,3S,4S,5R)-5-acetamido-3-acetoxy-4-[(2S,3R,4R,5S,6S)-3,4-dibenzyloxy-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-hydroxy-tetrahydropyran-2-yl]methyl acetate
CID 511035
[(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
N-[2-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide
CID 313289
Galactose, 2-acetamido-2-deoxy-1,3,4,6-tetrabenzyl-
CID 314448
N-[5-hydroxy-6-(hydroxymethyl)-2,4-bis(phenylmethoxy)oxan-3-yl]acetamide
CID 314450

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide (CID 119077344) is N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is [2H][C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
The InChIKey is UGGGQFGIBNSDGS-PCWDVMRQSA-N. The full InChI is InChI=1S/C29H33NO5/c1-22(31)30-26-20-33-27(21-32-17-23-11-5-2-6-12-23)29(35-19-25-15-9-4-10-16-25)28(26)34-18-24-13-7-3-8-14-24/h2-16,26-29H,17-21H2,1H3,(H,30,31)/t26-,27+,28+,29+/m0/s1/i20D/t20-,26+,27-,28-,29-/m1.
What are the key properties of N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide?
N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide has a molecular weight of 476.59 g/mol, XLogP of 4.28, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5S,6R)-2-deuterio-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 119077344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).