(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione

C8H15NO6 — CID 22816133

IUPAC(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione
SMILESCC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C8H15NO6/c1-3(11)6(13)5(9)8(15)7(14)4(12)2-10/h4-5,7-8,10,12,14-15H,2,9H2,1H3/t4-,5+,7+,8-/m1/s1
InChIKeyAIWBNMWVDUSXLC-HETMPLHPSA-N
MW221.21 g/mol
LogP-3.45
Rot. Bonds6

About (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione

(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione (PubChem CID 22816133) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione.

Molecular Properties

Compound Name(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione
PubChem CID22816133
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione
SMILESCC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C8H15NO6/c1-3(11)6(13)5(9)8(15)7(14)4(12)2-10/h4-5,7-8,10,12,14-15H,2,9H2,1H3/t4-,5+,7+,8-/m1/s1
InChIKeyAIWBNMWVDUSXLC-HETMPLHPSA-N
XLogP-3.45
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-3.45
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione with MolForge

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Related Compounds

(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one
CID 22797763
(4R,5S,6S,7R)-4,5,6,7,8-pentahydroxyoctane-2,3-dione
CID 87065543
(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione
CID 87436465
[(2R,3R,4R,5R)-5-amino-1,2,4-trihydroxy-6,7-dioxooctan-3-yl] hydrogen sulfate
CID 87496728
(4R,5R,6S,7R)-4-amino-5,6,7-trihydroxyoctane-2,3-dione
CID 87113894
(4S,5R,6S,7R)-4-amino-1,1,1-trifluoro-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 87330951
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
[(2R,3S,4R,5R)-5-amino-1,2,3-trihydroxy-6,7-dioxooctan-4-yl] 2-methylprop-2-enoate
CID 87428118
(3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid
CID 18346004
(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxy-1-(2-methylphenyl)heptane-1,2-dione
CID 22863050
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

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione?
The IUPAC name of (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione (CID 22816133) is (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione.
What is the SMILES notation for (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione?
The canonical SMILES for (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione is CC(=O)C(=O)[C@H](N)[C@@H](O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione?
The InChIKey is AIWBNMWVDUSXLC-HETMPLHPSA-N. The full InChI is InChI=1S/C8H15NO6/c1-3(11)6(13)5(9)8(15)7(14)4(12)2-10/h4-5,7-8,10,12,14-15H,2,9H2,1H3/t4-,5+,7+,8-/m1/s1.
What are the key properties of (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione?
(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione has a molecular weight of 221.21 g/mol, XLogP of -3.45, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione is sourced from PubChem (CID 22816133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).