(3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid

C10H18N2O8 — CID 18346004

IUPAC(3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18N2O8/c11-3(1-5(15)16)7(17)9(19)6(12)10(20)8(18)4(14)2-13/h3-4,6,8,10,13-14,18,20H,1-2,11-12H2,(H,15,16)/t3-,4+,6-,8+,10+/m0/s1
InChIKeyBDQDHORBXISMHU-HQLFKQAASA-N
MW294.26 g/mol
LogP-4.67
Rot. Bonds9

About (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid

(3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid (PubChem CID 18346004) has the molecular formula C10H18N2O8 and a molecular weight of 294.26 g/mol. Its IUPAC name is (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid.

Molecular Properties

Compound Name(3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid
PubChem CID18346004
Molecular FormulaC10H18N2O8
Molecular Weight294.26 g/mol
Exact Mass294.11
IUPAC Name(3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18N2O8/c11-3(1-5(15)16)7(17)9(19)6(12)10(20)8(18)4(14)2-13/h3-4,6,8,10,13-14,18,20H,1-2,11-12H2,(H,15,16)/t3-,4+,6-,8+,10+/m0/s1
InChIKeyBDQDHORBXISMHU-HQLFKQAASA-N
XLogP-4.67
TPSA204.40 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.26
LogP ≤ 5-4.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-aminobutanedioic acid;pentane-1,2,3,4,5-pentol
CID 174478377
(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 22816133
(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione
CID 87436465
(4S,5R,6S,7R)-4-amino-1,1,1-trifluoro-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 87330951
(3S)-3-amino-4-oxo-4-[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]oxybutanoic acid
CID 54323997
(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one
CID 22797763
(2S)-2-aminobutanedioic acid;bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 162130490
(2S,3S,4S)-2-amino-3,4,5-trihydroxypentanoic acid
CID 11126623
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
(2S,3S)-2-amino-3-methylpentanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 86617048
butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 122613100

Frequently Asked Questions

What is the IUPAC name of (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid?
The IUPAC name of (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid (CID 18346004) is (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid.
What is the SMILES notation for (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid?
The canonical SMILES for (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid is N[C@@H](CC(=O)O)C(=O)C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid?
The InChIKey is BDQDHORBXISMHU-HQLFKQAASA-N. The full InChI is InChI=1S/C10H18N2O8/c11-3(1-5(15)16)7(17)9(19)6(12)10(20)8(18)4(14)2-13/h3-4,6,8,10,13-14,18,20H,1-2,11-12H2,(H,15,16)/t3-,4+,6-,8+,10+/m0/s1.
What are the key properties of (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid?
(3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid has a molecular weight of 294.26 g/mol, XLogP of -4.67, 9 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid is sourced from PubChem (CID 18346004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).