(5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one

C9H17N3O6 — CID 141205114

IUPAC(5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one
SMILES[N-]=[N+]=NCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H17N3O6/c10-12-11-3-1-2-5(14)7(16)9(18)8(17)6(15)4-13/h6-9,13,15-18H,1-4H2/t6-,7+,8-,9-/m1/s1
InChIKeyOYHULAKCJXXZLR-BZNPZCIMSA-N
MW263.25 g/mol
LogP-1.92
Rot. Bonds9

About (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one

(5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one (PubChem CID 141205114) has the molecular formula C9H17N3O6 and a molecular weight of 263.25 g/mol. Its IUPAC name is (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one.

Molecular Properties

Compound Name(5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one
PubChem CID141205114
Molecular FormulaC9H17N3O6
Molecular Weight263.25 g/mol
Exact Mass263.11
IUPAC Name(5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one
SMILES[N-]=[N+]=NCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C9H17N3O6/c10-12-11-3-1-2-5(14)7(16)9(18)8(17)6(15)4-13/h6-9,13,15-18H,1-4H2/t6-,7+,8-,9-/m1/s1
InChIKeyOYHULAKCJXXZLR-BZNPZCIMSA-N
XLogP-1.92
TPSA166.98 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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 (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one with MolForge

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Related Compounds

5-azido-1,1-dihydroxypentan-2-one
CID 151328078
(6R,7S,8S,9R)-6,7,8,9,10-pentahydroxydecan-5-one
CID 139765419
1-azido-4,5,6,7-tetrahydroxyoctan-3-one
CID 175461234
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxydodecan-6-one
CID 163366048
1,2,3,4,5-pentahydroxytetracosan-6-one
CID 174434517
(2R,3R,4S,5S)-1,2,3,4,5-pentahydroxytridecan-6-one
CID 87273636
(2R,3S,4S,5R)-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 118678688
(2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxytetracosan-7-one
CID 141256889
(2R,3R,4S,5R)-1,2,3,4,5,6-hexahydroxypentadecan-7-one
CID 175836941
(2R,3S,4R)-1,2,3,4-tetrahydroxynonan-5-one
CID 141072155
(2R,3R,4S,5S)-18-deuterio-1,2,3,4,5-pentahydroxyoctadecan-6-one
CID 164775554
(2R,3R,4S,5R)-14-deuterio-1,2,3,4,5-pentahydroxytetradecan-6-one
CID 141214984

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one?
The IUPAC name of (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one (CID 141205114) is (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one.
What is the SMILES notation for (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one?
The canonical SMILES for (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one is [N-]=[N+]=NCCCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one?
The InChIKey is OYHULAKCJXXZLR-BZNPZCIMSA-N. The full InChI is InChI=1S/C9H17N3O6/c10-12-11-3-1-2-5(14)7(16)9(18)8(17)6(15)4-13/h6-9,13,15-18H,1-4H2/t6-,7+,8-,9-/m1/s1.
What are the key properties of (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one?
(5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one has a molecular weight of 263.25 g/mol, XLogP of -1.92, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R,8R)-1-azido-5,6,7,8,9-pentahydroxynonan-4-one is sourced from PubChem (CID 141205114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).