(2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol

C36H68N6O19 — CID 91858168

IUPAC(2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
SMILESC[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4[C@@H](O[C@@H]5[C@@H](O[C@H]6[C@@H](O)[C@H](N)[C@@H](C)O[C@@H]6O)O[C@H](C)[C@@H](N)[C@@H]5O)O[C@H](C)[C@@H](N)[C@@H]4O)O[C@H](C)[C@@H](N)[C@@H]3O)O[C@H](C)[C@@H](N)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1N
InChIInChI=1S/C36H68N6O19/c1-7-14(38)20(44)26(31(50)51-7)57-33-28(22(46)16(40)9(3)53-33)59-35-30(24(48)18(42)11(5)55-35)61-36-29(23(47)17(41)12(6)56-36)60-34-27(21(45)15(39)10(4)54-34)58-32-25(49)19(43)13(37)8(2)52-32/h7-36,43-50H,37-42H2,1-6H3/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m1/s1
InChIKeyOUPSNZPMNVLDMH-WDYVBLOXSA-N
MW888.96 g/mol
LogP-8.14
Rot. Bonds10

About (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol

(2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol (PubChem CID 91858168) has the molecular formula C36H68N6O19 and a molecular weight of 888.96 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
PubChem CID91858168
Molecular FormulaC36H68N6O19
Molecular Weight888.96 g/mol
Exact Mass888.45
IUPAC Name(2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
SMILESC[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4[C@@H](O[C@@H]5[C@@H](O[C@H]6[C@@H](O)[C@H](N)[C@@H](C)O[C@@H]6O)O[C@H](C)[C@@H](N)[C@@H]5O)O[C@H](C)[C@@H](N)[C@@H]4O)O[C@H](C)[C@@H](N)[C@@H]3O)O[C@H](C)[C@@H](N)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1N
InChIInChI=1S/C36H68N6O19/c1-7-14(38)20(44)26(31(50)51-7)57-33-28(22(46)16(40)9(3)53-33)59-35-30(24(48)18(42)11(5)55-35)61-36-29(23(47)17(41)12(6)56-36)60-34-27(21(45)15(39)10(4)54-34)58-32-25(49)19(43)13(37)8(2)52-32/h7-36,43-50H,37-42H2,1-6H3/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m1/s1
InChIKeyOUPSNZPMNVLDMH-WDYVBLOXSA-N
XLogP-8.14
TPSA419.49 Ų
H-Bond Donors14
H-Bond Acceptors25
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500888.96
LogP ≤ 5-8.14
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1025

Analyze (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol with MolForge

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Launch Full Analysis

Related Compounds

(2R,3R,4S,5R,6R)-6-methyl-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91860100
(3R,4R,5R,6S)-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91848231
(2R,3R,4R,5S,6S)-4-[(2S,3R,4R,5S,6S)-4-[(2R,3S,4R,5R,6S)-5-amino-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,3,5-triol
CID 91854013
(2S,3R,4S,5R,6R)-2-[(3R,4R,5S,6S)-2,5-dihydroxy-6-methyl-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 91858037
(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-methyl-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,3,5-triol
CID 91856640
(3R,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-[(2S,3R,4S,5S,6S)-3-hydroxy-6-methyl-4,5-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4,5-triol
CID 91853821
N-[(2R,3S,4S,5S)-5-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3-[(2R,3S,4S,5S,6R)-5-formamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4,6-dihydroxy-2-methyloxan-3-yl]formamide
CID 91846013
6-[2-[2-carboxy-4,5-dihydroxy-6-(2,4,5-trihydroxy-6-methyloxan-3-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162990335
(1R,2S,3R,5S)-3,5-diamino-6-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methyloxan-2-yl]oxycyclohexane-1,2,4-triol
CID 3086075
(2S,3S,4S,5R,6R)-5-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4,6-trihydroxyoxane-2-carboxylic acid
CID 91848298
(2S,3R,4R,5R,6S)-2-methyl-6-[(2S,3R,4S,5R)-4,5,6-trihydroxy-2-methyloxan-3-yl]oxyoxane-3,4,5-triol
CID 91854438
2-[4,5-dihydroxy-2-methyl-6-(4,5,6-trihydroxy-2-methyloxan-3-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 146507394

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol?
The IUPAC name of (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol (CID 91858168) is (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol?
The canonical SMILES for (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol is C[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@@H](O[C@@H]4[C@@H](O[C@@H]5[C@@H](O[C@H]6[C@@H](O)[C@H](N)[C@@H](C)O[C@@H]6O)O[C@H](C)[C@@H](N)[C@@H]5O)O[C@H](C)[C@@H](N)[C@@H]4O)O[C@H](C)[C@@H](N)[C@@H]3O)O[C@H](C)[C@@H](N)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1N.
What is the InChIKey of (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol?
The InChIKey is OUPSNZPMNVLDMH-WDYVBLOXSA-N. The full InChI is InChI=1S/C36H68N6O19/c1-7-14(38)20(44)26(31(50)51-7)57-33-28(22(46)16(40)9(3)53-33)59-35-30(24(48)18(42)11(5)55-35)61-36-29(23(47)17(41)12(6)56-36)60-34-27(21(45)15(39)10(4)54-34)58-32-25(49)19(43)13(37)8(2)52-32/h7-36,43-50H,37-42H2,1-6H3/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-,35-,36-/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol?
(2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol has a molecular weight of 888.96 g/mol, XLogP of -8.14, 10 rotatable bonds, 14 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3-[(2R,3S,4S,5S,6R)-5-amino-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol is sourced from PubChem (CID 91858168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).