N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide

C37H43NO7 — CID 134972945

IUPACN-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide
SMILESCC(=O)N[C@@H](C(O)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1)[C@H](CO)OCc1ccccc1
InChIInChI=1S/C37H43NO7/c1-28(40)38-35(33(22-39)43-24-30-16-8-3-9-17-30)36(41)37(45-26-32-20-12-5-13-21-32)34(44-25-31-18-10-4-11-19-31)27-42-23-29-14-6-2-7-15-29/h2-21,33-37,39,41H,22-27H2,1H3,(H,38,40)/t33-,34+,35+,36?,37+/m0/s1
InChIKeyROBPLPKZJCDKMI-OSRUSDCZSA-N
MW613.75 g/mol
LogP4.82
Rot. Bonds19

About N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide

N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide (PubChem CID 134972945) has the molecular formula C37H43NO7 and a molecular weight of 613.75 g/mol. Its IUPAC name is N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide
PubChem CID134972945
Molecular FormulaC37H43NO7
Molecular Weight613.75 g/mol
Exact Mass613.30
IUPAC NameN-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide
SMILESCC(=O)N[C@@H](C(O)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1)[C@H](CO)OCc1ccccc1
InChIInChI=1S/C37H43NO7/c1-28(40)38-35(33(22-39)43-24-30-16-8-3-9-17-30)36(41)37(45-26-32-20-12-5-13-21-32)34(44-25-31-18-10-4-11-19-31)27-42-23-29-14-6-2-7-15-29/h2-21,33-37,39,41H,22-27H2,1H3,(H,38,40)/t33-,34+,35+,36?,37+/m0/s1
InChIKeyROBPLPKZJCDKMI-OSRUSDCZSA-N
XLogP4.82
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500613.75
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide 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

Benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
CID 2801971
Benzyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside
CID 5288344
Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
benzyl N-acetyl-alpha-D-galactosaminide
CID 122253
Benzyl N-acetylglucosamine
CID 561184
Benzyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside
CID 7067537
2-Acetamido-4,6-o-benzylidene-2-deoxy-D-glucopyranose
CID 15612534
[5-Acetamido-4-acetyloxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-3-yl] acetate
CID 4332273
alpha-D-Glucopyranose, 2-(acetylamino)-2-deoxy-6-O-(triphenylmethyl)-, 1,3,4-triacetate
CID 2817438
N-(5-Amino-2-benzyloxy-4-hydroxy-6-hydroxymethyl-tetrahydro-pyran-3-yl)-acetamide
CID 44341501
[(2R,3S,4R,5R,6R)-5-acetamido-4-acetyloxy-6-prop-2-enoxy-2-(trityloxymethyl)oxan-3-yl] acetate
CID 11273307
beta-D-Glucopyranoside, 2-propenyl 2-(acetylamino)-2-deoxy-4,6-O-(phenylmethylene)-
CID 13968148

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide (CID 134972945) is N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide is CC(=O)N[C@@H](C(O)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1)[C@H](CO)OCc1ccccc1.
What is the InChIKey of N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide?
The InChIKey is ROBPLPKZJCDKMI-OSRUSDCZSA-N. The full InChI is InChI=1S/C37H43NO7/c1-28(40)38-35(33(22-39)43-24-30-16-8-3-9-17-30)36(41)37(45-26-32-20-12-5-13-21-32)34(44-25-31-18-10-4-11-19-31)27-42-23-29-14-6-2-7-15-29/h2-21,33-37,39,41H,22-27H2,1H3,(H,38,40)/t33-,34+,35+,36?,37+/m0/s1.
What are the key properties of N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide?
N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide has a molecular weight of 613.75 g/mol, XLogP of 4.82, 19 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,5S,6R)-1,4-dihydroxy-2,5,6,7-tetrakis(phenylmethoxy)heptan-3-yl]acetamide is sourced from PubChem (CID 134972945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).