[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium

C30H62N5O21+5 — CID 117071743

IUPAC[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
SMILES[NH3+][C@@H]1[C@@H](O)[C@H](O[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]5[NH3+])C(O)[C@H]4[NH3+])[C@H](O)[C@H]3[NH3+])[C@H](O)[C@H]2[NH3+])[C@@H](CO)O[C@H]1O
InChIInChI=1S/C30H57N5O21/c31-11-18(43)22(7(2-37)48-26(11)47)53-28-13(33)20(45)24(9(4-39)50-28)55-30-15(35)21(46)25(10(5-40)52-30)56-29-14(34)19(44)23(8(3-38)51-29)54-27-12(32)17(42)16(41)6(1-36)49-27/h6-30,36-47H,1-5,31-35H2/p+5/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19?,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+/m1/s1
InChIKeySNRMXXMATSAYCF-DYVCJRRESA-S
MW828.84 g/mol
LogP-15.68
Rot. Bonds13

About [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium

[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium (PubChem CID 117071743) has the molecular formula C30H62N5O21+5 and a molecular weight of 828.84 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium.

Molecular Properties

Compound Name[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
PubChem CID117071743
Molecular FormulaC30H62N5O21+5
Molecular Weight828.84 g/mol
Exact Mass828.39
IUPAC Name[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
SMILES[NH3+][C@@H]1[C@@H](O)[C@H](O[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]5[NH3+])C(O)[C@H]4[NH3+])[C@H](O)[C@H]3[NH3+])[C@H](O)[C@H]2[NH3+])[C@@H](CO)O[C@H]1O
InChIInChI=1S/C30H57N5O21/c31-11-18(43)22(7(2-37)48-26(11)47)53-28-13(33)20(45)24(9(4-39)50-28)55-30-15(35)21(46)25(10(5-40)52-30)56-29-14(34)19(44)23(8(3-38)51-29)54-27-12(32)17(42)16(41)6(1-36)49-27/h6-30,36-47H,1-5,31-35H2/p+5/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19?,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+/m1/s1
InChIKeySNRMXXMATSAYCF-DYVCJRRESA-S
XLogP-15.68
TPSA464.03 Ų
H-Bond Donors17
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500828.84
LogP ≤ 5-15.68
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1021

Analyze [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium with MolForge

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Launch Full Analysis

Related Compounds

[5-[3-amino-5-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 154010190
[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 3258796
[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 45266741
[(2R,3R,4R,5R,6S)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium
CID 7568489
(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 156615824
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 98148766
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91860101
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 11908385
(2R,3S,4R,5R,6S)-2-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2S,3S,4S,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124916944
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 67810472
(2S,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 11865438
(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 95858639

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium?
The IUPAC name of [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium (CID 117071743) is [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium.
What is the SMILES notation for [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium?
The canonical SMILES for [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium is [NH3+][C@@H]1[C@@H](O)[C@H](O[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]5[NH3+])C(O)[C@H]4[NH3+])[C@H](O)[C@H]3[NH3+])[C@H](O)[C@H]2[NH3+])[C@@H](CO)O[C@H]1O.
What is the InChIKey of [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium?
The InChIKey is SNRMXXMATSAYCF-DYVCJRRESA-S. The full InChI is InChI=1S/C30H57N5O21/c31-11-18(43)22(7(2-37)48-26(11)47)53-28-13(33)20(45)24(9(4-39)50-28)55-30-15(35)21(46)25(10(5-40)52-30)56-29-14(34)19(44)23(8(3-38)51-29)54-27-12(32)17(42)16(41)6(1-36)49-27/h6-30,36-47H,1-5,31-35H2/p+5/t6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19?,20-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+/m1/s1.
What are the key properties of [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium?
[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium has a molecular weight of 828.84 g/mol, XLogP of -15.68, 13 rotatable bonds, 17 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6S)-5-azaniumyl-6-[(2R,3S,4R,5R,6R)-5-azaniumyl-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]azanium is sourced from PubChem (CID 117071743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).