N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide

C35H66N8O22 — CID 123444494

IUPACN-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide
SMILES[H]/N=N/CC(=O)NCCCO[C@@H]1OC(CO[C@@H]2OC(CO[C@@H]3OC(CO[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5N)[C@@H](O)[C@H](O)C4N)[C@@H](O)[C@H](O)C3N)[C@@H](O)[C@H](O)C2N)[C@@H](O)[C@H](O)C1N
InChIInChI=1S/C35H66N8O22/c36-16-27(52)22(47)11(62-31(16)56-3-1-2-42-15(45)4-43-41)6-58-33-18(38)29(54)24(49)13(64-33)8-60-35-20(40)30(55)25(50)14(65-35)9-59-34-19(39)28(53)23(48)12(63-34)7-57-32-17(37)26(51)21(46)10(5-44)61-32/h10-14,16-35,41,44,46-55H,1-9,36-40H2,(H,42,45)/b43-41+/t10?,11?,12?,13?,14?,16?,17?,18?,19?,20?,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m1/s1
InChIKeyPNLWFLZRLVVMKT-GNYFUZSOSA-N
MW950.95 g/mol
LogP-11.53
Rot. Bonds20

About N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide

N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide (PubChem CID 123444494) has the molecular formula C35H66N8O22 and a molecular weight of 950.95 g/mol. Its IUPAC name is N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide.

Molecular Properties

Compound NameN-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide
PubChem CID123444494
Molecular FormulaC35H66N8O22
Molecular Weight950.95 g/mol
Exact Mass950.43
IUPAC NameN-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide
SMILES[H]/N=N/CC(=O)NCCCO[C@@H]1OC(CO[C@@H]2OC(CO[C@@H]3OC(CO[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5N)[C@@H](O)[C@H](O)C4N)[C@@H](O)[C@H](O)C3N)[C@@H](O)[C@H](O)C2N)[C@@H](O)[C@H](O)C1N
InChIInChI=1S/C35H66N8O22/c36-16-27(52)22(47)11(62-31(16)56-3-1-2-42-15(45)4-43-41)6-58-33-18(38)29(54)24(49)13(64-33)8-60-35-20(40)30(55)25(50)14(65-35)9-59-34-19(39)28(53)23(48)12(63-34)7-57-32-17(37)26(51)21(46)10(5-44)61-32/h10-14,16-35,41,44,46-55H,1-9,36-40H2,(H,42,45)/b43-41+/t10?,11?,12?,13?,14?,16?,17?,18?,19?,20?,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m1/s1
InChIKeyPNLWFLZRLVVMKT-GNYFUZSOSA-N
XLogP-11.53
TPSA510.24 Ų
H-Bond Donors18
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500950.95
LogP ≤ 5-11.53
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide with MolForge

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Related Compounds

N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-4-methylsulfanylbutanamide
CID 159920219
5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[3-(5-sulfanylpent-1-en-2-ylamino)propoxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 162478629
6-[[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 163093840
(2R,3S,4R,5R,6R)-5-amino-6-butoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 10879084
N-[3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl]-6-oxoheptanamide
CID 122633644
5-amino-6-[[5-amino-6-[[5-amino-3,4-dihydroxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 155635351
ethyl N-[6-[[1,3-bis[3-[3-[5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-6-oxohexyl]carbamate
CID 90334154
N-(2-aminoethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanamide
CID 10664588
actinium;[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[3-(pentanoylamino)propoxy]oxan-3-yl]azanide
CID 59894670
S-[4-[3-[(2R,4R,5S)-3-acetamido-6-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropylamino]-4-oxobutyl] ethanethioate;N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-4-methylsulfanylbutanamide;(2R,4S,5S)-2-butoxy-6-[[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxane;S-[4-[3-[(2R,4S,5S)-6-[[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxymethyl]-3,4,5-trimethyloxan-2-yl]oxypropylamino]-4-oxobutyl] ethanethioate
CID 159920218
(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101248104
4-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[6-[[4-(3-hydroperoxypropyl)-7-hydroxy-4-methylheptoxy]amino]hexyl]butanamide
CID 90136236

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide?
The IUPAC name of N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide (CID 123444494) is N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide.
What is the SMILES notation for N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide?
The canonical SMILES for N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide is [H]/N=N/CC(=O)NCCCO[C@@H]1OC(CO[C@@H]2OC(CO[C@@H]3OC(CO[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5N)[C@@H](O)[C@H](O)C4N)[C@@H](O)[C@H](O)C3N)[C@@H](O)[C@H](O)C2N)[C@@H](O)[C@H](O)C1N.
What is the InChIKey of N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide?
The InChIKey is PNLWFLZRLVVMKT-GNYFUZSOSA-N. The full InChI is InChI=1S/C35H66N8O22/c36-16-27(52)22(47)11(62-31(16)56-3-1-2-42-15(45)4-43-41)6-58-33-18(38)29(54)24(49)13(64-33)8-60-35-20(40)30(55)25(50)14(65-35)9-59-34-19(39)28(53)23(48)12(63-34)7-57-32-17(37)26(51)21(46)10(5-44)61-32/h10-14,16-35,41,44,46-55H,1-9,36-40H2,(H,42,45)/b43-41+/t10?,11?,12?,13?,14?,16?,17?,18?,19?,20?,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-/m1/s1.
What are the key properties of N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide?
N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide has a molecular weight of 950.95 g/mol, XLogP of -11.53, 20 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-6-[[(2R,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxypropyl]-2-diazenylacetamide is sourced from PubChem (CID 123444494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).