N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide

N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide (PubChem CID 91855629) has the molecular formula C45H77N5O29 and a molecular weight of 1152.12 g/mol. Its IUPAC name is N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound Name	N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide
PubChem CID	91855629
Molecular Formula	C45H77N5O29
Molecular Weight	1152.12 g/mol
Exact Mass	1151.47
IUPAC Name	N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide
SMILES	CO[C@H]1[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N)C(O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C)[C@H](O)[C@@H]1O
InChI	InChI=1S/C45H77N5O29/c1-12-27(59)34(66)39(68-6)45(70-12)69-11-21-38(30(62)23(40(67)71-21)47-13(2)55)79-44-26(50-16(5)58)33(65)37(20(10-54)75-44)78-43-25(49-15(4)57)32(64)36(19(9-53)74-43)77-42-24(48-14(3)56)31(63)35(18(8-52)73-42)76-41-22(46)29(61)28(60)17(7-51)72-41/h12,17-45,51-54,59-67H,7-11,46H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t12-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-,31?,32-,33-,34+,35-,36-,37-,38-,39-,40?,41+,42+,43+,44+,45+/m1/s1
InChIKey	PVRRHWJUKSNECJ-NPNGSFDDSA-N
XLogP	-11.88
TPSA	516.17 Å²
H-Bond Donors	18
H-Bond Acceptors	30
Rotatable Bonds	20
Heavy Atoms	79
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.12
LogP ≤ 5	-11.88
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	30

Analyze N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide?

The IUPAC name of N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide (CID 91855629) is N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide.

What is the SMILES notation for N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide?

The canonical SMILES for N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide is CO[C@H]1[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5N)C(O)[C@H]4NC(C)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)O[C@H](C)[C@H](O)[C@@H]1O.

What is the InChIKey of N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide?

The InChIKey is PVRRHWJUKSNECJ-NPNGSFDDSA-N. The full InChI is InChI=1S/C45H77N5O29/c1-12-27(59)34(66)39(68-6)45(70-12)69-11-21-38(30(62)23(40(67)71-21)47-13(2)55)79-44-26(50-16(5)58)33(65)37(20(10-54)75-44)78-43-25(49-15(4)57)32(64)36(19(9-53)74-43)77-42-24(48-14(3)56)31(63)35(18(8-52)73-42)76-41-22(46)29(61)28(60)17(7-51)72-41/h12,17-45,51-54,59-67H,7-11,46H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t12-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30-,31?,32-,33-,34+,35-,36-,37-,38-,39-,40?,41+,42+,43+,44+,45+/m1/s1.

What are the key properties of N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide?

Where does this data come from?

All data for N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxymethyl]-2,4-dihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 91855629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).