9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide

C57H99N9O36 — CID 160789710

IUPAC9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide
SMILES[N-]=[N+]=NC(=O)CCCCCCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.[N-]=[N+]=NC(=O)CCCCCCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.[N-]=[N+]=NC(=O)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C27H47N3O17.C21H37N3O12.C9H15N3O7/c28-30-29-15(34)7-5-3-1-2-4-6-8-42-26-23(20(39)17(36)13(10-32)44-26)47-27-24(21(40)18(37)14(11-33)45-27)46-25-22(41)19(38)16(35)12(9-31)43-25;22-24-23-13(27)7-5-3-1-2-4-6-8-33-21-19(17(31)15(29)12(10-26)35-21)36-20-18(32)16(30)14(28)11(9-25)34-20;10-12-11-5(14)1-2-18-9-8(17)7(16)6(15)4(3-13)19-9/h12-14,16-27,31-33,35-41H,1-11H2;11-12,14-21,25-26,28-32H,1-10H2;4,6-9,13,15-17H,1-3H2
InChIKeySBRGMHPSIQJECY-UHFFFAOYSA-N
MW1486.45 g/mol
LogP-7.76
Rot. Bonds36

About 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide

9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide (PubChem CID 160789710) has the molecular formula C57H99N9O36 and a molecular weight of 1486.45 g/mol. Its IUPAC name is 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide.

Molecular Properties

Compound Name9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide
PubChem CID160789710
Molecular FormulaC57H99N9O36
Molecular Weight1486.45 g/mol
Exact Mass1485.62
IUPAC Name9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide
SMILES[N-]=[N+]=NC(=O)CCCCCCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.[N-]=[N+]=NC(=O)CCCCCCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.[N-]=[N+]=NC(=O)CCOC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C27H47N3O17.C21H37N3O12.C9H15N3O7/c28-30-29-15(34)7-5-3-1-2-4-6-8-42-26-23(20(39)17(36)13(10-32)44-26)47-27-24(21(40)18(37)14(11-33)45-27)46-25-22(41)19(38)16(35)12(9-31)43-25;22-24-23-13(27)7-5-3-1-2-4-6-8-33-21-19(17(31)15(29)12(10-26)35-21)36-20-18(32)16(30)14(28)11(9-25)34-20;10-12-11-5(14)1-2-18-9-8(17)7(16)6(15)4(3-13)19-9/h12-14,16-27,31-33,35-41H,1-11H2;11-12,14-21,25-26,28-32H,1-10H2;4,6-9,13,15-17H,1-3H2
InChIKeySBRGMHPSIQJECY-UHFFFAOYSA-N
XLogP-7.76
TPSA733.08 Ų
H-Bond Donors21
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001486.45
LogP ≤ 5-7.76
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide with MolForge

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Related Compounds

9-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoic acid
CID 154047010
6-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanehydrazide
CID 10841724
(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-(5-azidopentoxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102073351
9-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxynonanoyl azide
CID 100916232
(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-(8-aminooctoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101248109
methyl 9-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoate
CID 70132238
2-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 162914575
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91859797
(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90658168
methyl 9-[(2S,3S,4S,5R)-5-[[(2S,3S,4S,5R)-4-[(2S,3S,4R,5R)-3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-[[(2S,3S,4R,5R)-3-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3-hydroxyoxolan-2-yl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]oxynonanoate
CID 10909228
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-(5-aminopentoxy)-2-(azidomethyl)-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 145022009
(2R,4S,5S)-2-(8-azidooctoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 172509438

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide?
The IUPAC name of 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide (CID 160789710) is 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide.
What is the SMILES notation for 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide?
The canonical SMILES for 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide is [N-]=[N+]=NC(=O)CCCCCCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.[N-]=[N+]=NC(=O)CCCCCCCCOC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O.[N-]=[N+]=NC(=O)CCOC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide?
The InChIKey is SBRGMHPSIQJECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47N3O17.C21H37N3O12.C9H15N3O7/c28-30-29-15(34)7-5-3-1-2-4-6-8-42-26-23(20(39)17(36)13(10-32)44-26)47-27-24(21(40)18(37)14(11-33)45-27)46-25-22(41)19(38)16(35)12(9-31)43-25;22-24-23-13(27)7-5-3-1-2-4-6-8-33-21-19(17(31)15(29)12(10-26)35-21)36-20-18(32)16(30)14(28)11(9-25)34-20;10-12-11-5(14)1-2-18-9-8(17)7(16)6(15)4(3-13)19-9/h12-14,16-27,31-33,35-41H,1-11H2;11-12,14-21,25-26,28-32H,1-10H2;4,6-9,13,15-17H,1-3H2.
What are the key properties of 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide?
9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide has a molecular weight of 1486.45 g/mol, XLogP of -7.76, 36 rotatable bonds, 21 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoyl azide;9-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxynonanoyl azide;3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropanoyl azide is sourced from PubChem (CID 160789710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).