(2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

C32H54N18O13Si — CID 42626191

IUPAC(2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
SMILESCC(C)[Si](OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]2O[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)C(O)[C@H]2N=[N+]=[N-])[C@H](O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-])(C(C)C)C(C)C
InChIInChI=1S/C32H54N18O13Si/c1-11(2)64(12(3)4,13(5)6)57-10-18-28(62-31-20(44-50-38)25(55)23(53)17(59-31)9-40-46-34)26(56)32(60-18)63-29-21(51)14(41-47-35)7-15(42-48-36)27(29)61-30-19(43-49-37)24(54)22(52)16(58-30)8-39-45-33/h11-32,51-56H,7-10H2,1-6H3/t14-,15+,16-,17+,18-,19-,20-,21+,22-,23-,24?,25-,26-,27-,28-,29-,30-,31-,32+/m1/s1
InChIKeyZKIOJLDQZHEFEO-RRYSHGKKSA-N
MW926.98 g/mol
LogP3.41
Rot. Bonds20

About (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol

(2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol (PubChem CID 42626191) has the molecular formula C32H54N18O13Si and a molecular weight of 926.98 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
PubChem CID42626191
Molecular FormulaC32H54N18O13Si
Molecular Weight926.98 g/mol
Exact Mass926.39
IUPAC Name(2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
SMILESCC(C)[Si](OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]2O[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)C(O)[C@H]2N=[N+]=[N-])[C@H](O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-])(C(C)C)C(C)C
InChIInChI=1S/C32H54N18O13Si/c1-11(2)64(12(3)4,13(5)6)57-10-18-28(62-31-20(44-50-38)25(55)23(53)17(59-31)9-40-46-34)26(56)32(60-18)63-29-21(51)14(41-47-35)7-15(42-48-36)27(29)61-30-19(43-49-37)24(54)22(52)16(58-30)8-39-45-33/h11-32,51-56H,7-10H2,1-6H3/t14-,15+,16-,17+,18-,19-,20-,21+,22-,23-,24?,25-,26-,27-,28-,29-,30-,31-,32+/m1/s1
InChIKeyZKIOJLDQZHEFEO-RRYSHGKKSA-N
XLogP3.41
TPSA478.55 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500926.98
LogP ≤ 53.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol with MolForge

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Related Compounds

(2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4R,5S,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-2-ethyl-4-hydroxyoxolan-3-yl]oxyoxane-3,4-diol
CID 167547814
(2S,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4S,5R,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 164843967
(3S,4R,6S)-5-azido-6-[(1R,2R,4R)-4,6-diazido-2-[(2S,4R,5R)-4-[(2R,5S,6S)-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 91080595
(2S,3S,4R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,6S)-3,5-diazido-2-[(2R,5R,6R)-3-azido-6-(azidomethyl)-4,4-difluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 167266547
(2S,3S,6R)-5-amino-2-(aminomethyl)-6-[(2R,3R,5S)-5-[(1R,2R,5R)-3,5-diamino-2-[(2S,4R,5S)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;(2S,3S,6R)-5-azido-2-(azidomethyl)-6-[(2R,3R,5S)-5-[(1R,2R,5R)-3,5-diazido-2-[(2S,4R,5S)-3-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 161396462
(2S,3S,4R,6R)-5-azido-2-(azidomethyl)-6-[(2R,3S,4R,5R)-5-[(1S,2S)-3,5-diazido-2-hydroxycyclohexyl]oxy-4-hydroxy-2-(2-hydroxyethyl)oxolan-3-yl]oxyoxane-3,4-diol
CID 167267018
(3S,4R,6S)-5-azido-6-[(1R,3R,4R)-4,6-diazido-2,3-dihydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 126675808
(3S,4S,6R)-2-(azidomethyl)-6-[(1R,2R,4R)-4,6-diazido-3-[(3R,5S,6R)-4-azido-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxyoxane-3,4,5-triol
CID 118912260
(3S,4S,6R)-6-[(1S,2R,4R)-2-(4-aminobutylamino)-4,6-diazido-3-hydroxycyclohexyl]oxy-5-azido-2-(azidomethyl)oxane-3,4-diol
CID 90478132
benzyl N-[(1S)-1-[(2S,5R,6R)-5-azido-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxan-2-yl]ethyl]-N-benzylcarbamate
CID 164843890
[(2R,3R,4R,5S)-4-acetyloxy-5-[(1S,2S,3R,5S,6R)-2-acetyloxy-6-[(2R,3S,4S,5R,6R)-5-acetyloxy-3-azido-6-(azidomethyl)-4-fluorooxan-2-yl]oxy-3,5-diazidocyclohexyl]oxy-3-[(2R,3R,4R,5S,6S)-4,5-diacetyloxy-6-(azidomethyl)-3-methyloxan-2-yl]oxyoxolan-2-yl]methyl acetate;(2S,3S,4R,5R,6R)-2-(azidomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diazido-2-[(2R,3S,4S,5R,6R)-3-azido-6-(azidomethyl)-4-fluoro-5-hydroxyoxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-5-methyloxane-3,4-diol
CID 167694237
[(2S)-2-acetyloxy-4,6-diazido-3-[(4R)-4,5-diacetyloxy-3-azido-6-(azidomethyl)oxan-2-yl]oxycyclohexyl] acetate
CID 135016662

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol (CID 42626191) is (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol is CC(C)[Si](OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](N=[N+]=[N-])C[C@H](N=[N+]=[N-])[C@H]2O[C@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)C(O)[C@H]2N=[N+]=[N-])[C@H](O)[C@@H]1O[C@H]1O[C@@H](CN=[N+]=[N-])[C@@H](O)[C@H](O)[C@H]1N=[N+]=[N-])(C(C)C)C(C)C.
What is the InChIKey of (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol?
The InChIKey is ZKIOJLDQZHEFEO-RRYSHGKKSA-N. The full InChI is InChI=1S/C32H54N18O13Si/c1-11(2)64(12(3)4,13(5)6)57-10-18-28(62-31-20(44-50-38)25(55)23(53)17(59-31)9-40-46-34)26(56)32(60-18)63-29-21(51)14(41-47-35)7-15(42-48-36)27(29)61-30-19(43-49-37)24(54)22(52)16(58-30)8-39-45-33/h11-32,51-56H,7-10H2,1-6H3/t14-,15+,16-,17+,18-,19-,20-,21+,22-,23-,24?,25-,26-,27-,28-,29-,30-,31-,32+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol?
(2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol has a molecular weight of 926.98 g/mol, XLogP of 3.41, 20 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-5-azido-2-(azidomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diazido-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-azido-6-(azidomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[tri(propan-2-yl)silyloxymethyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol is sourced from PubChem (CID 42626191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).