(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione

C10H19NO6 — CID 87436465

IUPAC(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione
SMILESCCCC(=O)C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H19NO6/c1-2-3-5(13)8(15)7(11)10(17)9(16)6(14)4-12/h6-7,9-10,12,14,16-17H,2-4,11H2,1H3/t6-,7+,9-,10-/m1/s1
InChIKeyVQAUAHJIYXPKIP-BKFJMODKSA-N
MW249.26 g/mol
LogP-2.67
Rot. Bonds8

About (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione

(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione (PubChem CID 87436465) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione.

Molecular Properties

Compound Name(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione
PubChem CID87436465
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione
SMILESCCCC(=O)C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H19NO6/c1-2-3-5(13)8(15)7(11)10(17)9(16)6(14)4-12/h6-7,9-10,12,14,16-17H,2-4,11H2,1H3/t6-,7+,9-,10-/m1/s1
InChIKeyVQAUAHJIYXPKIP-BKFJMODKSA-N
XLogP-2.67
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-2.67
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 (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione with MolForge

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Related Compounds

(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 22816133
butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 122613100
(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one
CID 22797763
(3S,6R,7R,8S,9R)-3,6-diamino-7,8,9,10-tetrahydroxy-4,5-dioxodecanoic acid
CID 18346004
(4S,5R,6S,7R)-4-amino-1,1,1-trifluoro-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 87330951
1,2,3,4,5-pentahydroxyoctadecane-6,7-dione
CID 174280560
butanoic acid;(2R,4S)-pentane-1,2,3,4,5-pentol
CID 87746367
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
ethyl (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218813
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218815
calcium;butanoate;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid)
CID 173185799

Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione?
The IUPAC name of (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione (CID 87436465) is (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione.
What is the SMILES notation for (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione?
The canonical SMILES for (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione is CCCC(=O)C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione?
The InChIKey is VQAUAHJIYXPKIP-BKFJMODKSA-N. The full InChI is InChI=1S/C10H19NO6/c1-2-3-5(13)8(15)7(11)10(17)9(16)6(14)4-12/h6-7,9-10,12,14,16-17H,2-4,11H2,1H3/t6-,7+,9-,10-/m1/s1.
What are the key properties of (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione?
(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione has a molecular weight of 249.26 g/mol, XLogP of -2.67, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione is sourced from PubChem (CID 87436465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).