(2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine

C75H77NO10 — CID 134937775

IUPAC(2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine
SMILESc1ccc(COC[C@H]2O[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@@H](N(Cc4ccccc4)Cc4ccccc4)[C@H](OCc4ccccc4)O[C@@H]3COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C75H77NO10/c1-10-28-57(29-11-1)46-76(47-58-30-12-2-13-31-58)68-71(80-51-62-38-20-6-21-39-62)70(67(56-78-49-60-34-16-4-17-35-60)84-74(68)83-54-65-44-26-9-27-45-65)86-75-73(82-53-64-42-24-8-25-43-64)72(81-52-63-40-22-7-23-41-63)69(79-50-61-36-18-5-19-37-61)66(85-75)55-77-48-59-32-14-3-15-33-59/h1-45,66-75H,46-56H2/t66-,67-,68-,69-,70-,71-,72+,73-,74-,75+/m1/s1
InChIKeyHPDNGLLHWVNXRN-MBLYOJNOSA-N
MW1152.44 g/mol
LogP13.88
Rot. Bonds30

About (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine

(2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine (PubChem CID 134937775) has the molecular formula C75H77NO10 and a molecular weight of 1152.44 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine
PubChem CID134937775
Molecular FormulaC75H77NO10
Molecular Weight1152.44 g/mol
Exact Mass1151.55
IUPAC Name(2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine
SMILESc1ccc(COC[C@H]2O[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@@H](N(Cc4ccccc4)Cc4ccccc4)[C@H](OCc4ccccc4)O[C@@H]3COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1
InChIInChI=1S/C75H77NO10/c1-10-28-57(29-11-1)46-76(47-58-30-12-2-13-31-58)68-71(80-51-62-38-20-6-21-39-62)70(67(56-78-49-60-34-16-4-17-35-60)84-74(68)83-54-65-44-26-9-27-45-65)86-75-73(82-53-64-42-24-8-25-43-64)72(81-52-63-40-22-7-23-41-63)69(79-50-61-36-18-5-19-37-61)66(85-75)55-77-48-59-32-14-3-15-33-59/h1-45,66-75H,46-56H2/t66-,67-,68-,69-,70-,71-,72+,73-,74-,75+/m1/s1
InChIKeyHPDNGLLHWVNXRN-MBLYOJNOSA-N
XLogP13.88
TPSA95.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds30
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001152.44
LogP ≤ 513.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine 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

Galactose, 2-acetamido-2-deoxy-1,3,4,6-tetrabenzyl-
CID 314448
(1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinyl)methanol
CID 364050
(2R,3R,4S,5S,6R)-1-benzyl-5-fluoro-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enylpiperidine
CID 162401793
methyl 2-N,N-dibenzylamino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside
CID 11202043
(3S,4S,5R,6R,7R)-1-benzyl-5,6-bis(phenylmethoxy)-7-(phenylmethoxymethyl)azepane-3,4-diol
CID 101881806
((2R,3R,4R,5S,6S)-5-azido-1-benzyl-3,4-bis(benzyloxy)-2-((benzyloxy)methyl)piperidin-6-yl)methyl acetate
CID 101881807
(3r,4r,5s,6r)-2,4,5-Tris(benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2h-pyran-3-amine hydrochloride
CID 162737026
(6S,7R,8S)-5-benzyl-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 391868
(3S,4S,6R)-6-[(2R,5S)-3-[(4-fluorophenyl)methylamino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 70905899
6-[3-[(4-Fluorophenyl)methylamino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 77950568
(2R,3R,4R)-4-Benzyloxy-N-benzyloxycarbonyl-2-(benzyloxymethyl)pyrrolidin-3-yl 2,3,6-tri-O-benzyl-4-O-(2,3,4-tri-O-benzyl-6-fluoro-6-deoxy-beta-D-glucopyranosyl)-alpha-D-glucopyranoside
CID 86602923
(2R,3R,4R)-4-Benzyloxy-N-benzyloxycarbonyl-2-(benzyloxymethyl)pyrrolidin-3-yl 2,3-di-O-benzyl-6-fluoro-6-deoxy-4-O-(2,3,4-tri-O-benzyl-6-fluoro-6-deoxy-beta-D-glucopyranosyl)-alpha-D-glucopyranoside
CID 86602925

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine?
The IUPAC name of (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine (CID 134937775) is (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine.
What is the SMILES notation for (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine?
The canonical SMILES for (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine is c1ccc(COC[C@H]2O[C@@H](O[C@H]3[C@H](OCc4ccccc4)[C@@H](N(Cc4ccccc4)Cc4ccccc4)[C@H](OCc4ccccc4)O[C@@H]3COCc3ccccc3)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1.
What is the InChIKey of (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine?
The InChIKey is HPDNGLLHWVNXRN-MBLYOJNOSA-N. The full InChI is InChI=1S/C75H77NO10/c1-10-28-57(29-11-1)46-76(47-58-30-12-2-13-31-58)68-71(80-51-62-38-20-6-21-39-62)70(67(56-78-49-60-34-16-4-17-35-60)84-74(68)83-54-65-44-26-9-27-45-65)86-75-73(82-53-64-42-24-8-25-43-64)72(81-52-63-40-22-7-23-41-63)69(79-50-61-36-18-5-19-37-61)66(85-75)55-77-48-59-32-14-3-15-33-59/h1-45,66-75H,46-56H2/t66-,67-,68-,69-,70-,71-,72+,73-,74-,75+/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine?
(2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine has a molecular weight of 1152.44 g/mol, XLogP of 13.88, 30 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-N,N-dibenzyl-2,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyoxan-3-amine is sourced from PubChem (CID 134937775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).