(4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

C52H96N18O25 — CID 122691415

About (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

(4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol (PubChem CID 122691415) has the molecular formula C52H96N18O25 and a molecular weight of 1373.44 g/mol. Its IUPAC name is (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol.

Molecular Properties

• Compound Name: (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
• PubChem CID: 122691415
• Molecular Formula: C52H96N18O25
• Molecular Weight: 1373.44 g/mol
• Exact Mass: 1372.68
• IUPAC Name: (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
• SMILES: NCC1O[C@H](OC2C(N)C[C@@H](N)C(O)[C@H]2O[C@@H]2O[C@H](Cn3cc(COCc4cn(C[C@H]5O[C@@H](O[C@H]6C(O[C@@H]7OC(CN)C(O)[C@H](O)C7N)C(N)C[C@@H](N)C6O)C(O)[C@H]5O[C@H]5O[C@@H](CN)C(O)C(O)C5N)nn4)nn3)C(O[C@H]3O[C@@H](CN)C(O)C(O)C3N)[C@@H]2O)C(N)[C@@H](O)C1O
• InChI: InChI=1S/C52H96N18O25/c53-3-19-31(73)35(77)25(61)47(84-19)90-41-17(59)1-15(57)29(71)45(41)94-51-39(81)43(92-49-27(63)37(79)33(75)21(5-55)86-49)23(88-51)9-69-7-13(65-67-69)11-83-12-14-8-70(68-66-14)10-24-44(93-50-28(64)38(80)34(76)22(6-56)87-50)40(82)52(89-24)95-46-30(72)16(58)2-18(60)42(46)91-48-26(62)36(78)32(74)20(4-54)85-48/h7-8,15-52,71-82H,1-6,9-12,53-64H2/t15-,16-,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-,46-,47-,48+,49-,50-,51+,52+/m1/s1
• InChIKey: UAHOAKKLZOECED-VQLOIXGNSA-N
• XLogP: -17.16
• TPSA: 736.41 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 43
• Rotatable Bonds: 24
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1373.44
LogP ≤ 5	-17.16
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol?

The IUPAC name of (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol (CID 122691415) is (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol.

What is the SMILES notation for (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol?

The canonical SMILES for (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol is NCC1O[C@H](OC2C(N)C[C@@H](N)C(O)[C@H]2O[C@@H]2O[C@H](Cn3cc(COCc4cn(C[C@H]5O[C@@H](O[C@H]6C(O[C@@H]7OC(CN)C(O)[C@H](O)C7N)C(N)C[C@@H](N)C6O)C(O)[C@H]5O[C@H]5O[C@@H](CN)C(O)C(O)C5N)nn4)nn3)C(O[C@H]3O[C@@H](CN)C(O)C(O)C3N)[C@@H]2O)C(N)[C@@H](O)C1O.

What is the InChIKey of (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol?

The InChIKey is UAHOAKKLZOECED-VQLOIXGNSA-N. The full InChI is InChI=1S/C52H96N18O25/c53-3-19-31(73)35(77)25(61)47(84-19)90-41-17(59)1-15(57)29(71)45(41)94-51-39(81)43(92-49-27(63)37(79)33(75)21(5-55)86-49)23(88-51)9-69-7-13(65-67-69)11-83-12-14-8-70(68-66-14)10-24-44(93-50-28(64)38(80)34(76)22(6-56)87-50)40(82)52(89-24)95-46-30(72)16(58)2-18(60)42(46)91-48-26(62)36(78)32(74)20(4-54)85-48/h7-8,15-52,71-82H,1-6,9-12,53-64H2/t15-,16-,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-,46-,47-,48+,49-,50-,51+,52+/m1/s1.

What are the key properties of (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol?

(4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol has a molecular weight of 1373.44 g/mol, XLogP of -17.16, 24 rotatable bonds, 24 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,6R)-5-amino-2-(aminomethyl)-6-[(2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[[4-[[1-[[(2R,3R,5S)-3-[(2R,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-5-[(1R,5R)-3,5-diamino-2-[(2S,4R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxyoxolan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]-3-hydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol is sourced from PubChem (CID 122691415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).