(3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione

C7H13NO5 — CID 73357394

IUPAC(3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione
SMILESC[C@@](O)(CN)C(=O)[C@H](O)C(=O)CO
InChIInChI=1S/C7H13NO5/c1-7(13,3-8)6(12)5(11)4(10)2-9/h5,9,11,13H,2-3,8H2,1H3/t5-,7-/m1/s1
InChIKeyAAOORZHVZSVKQN-IYSWYEEDSA-N
MW191.18 g/mol
LogP-2.81
Rot. Bonds5

About (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione

(3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione (PubChem CID 73357394) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione.

Molecular Properties

Compound Name(3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione
PubChem CID73357394
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Name(3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione
SMILESC[C@@](O)(CN)C(=O)[C@H](O)C(=O)CO
InChIInChI=1S/C7H13NO5/c1-7(13,3-8)6(12)5(11)4(10)2-9/h5,9,11,13H,2-3,8H2,1H3/t5-,7-/m1/s1
InChIKeyAAOORZHVZSVKQN-IYSWYEEDSA-N
XLogP-2.81
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione?
The IUPAC name of (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione (CID 73357394) is (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione.
What is the SMILES notation for (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione?
The canonical SMILES for (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione is C[C@@](O)(CN)C(=O)[C@H](O)C(=O)CO.
What is the InChIKey of (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione?
The InChIKey is AAOORZHVZSVKQN-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H13NO5/c1-7(13,3-8)6(12)5(11)4(10)2-9/h5,9,11,13H,2-3,8H2,1H3/t5-,7-/m1/s1.
What are the key properties of (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione?
(3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione has a molecular weight of 191.18 g/mol, XLogP of -2.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-6-amino-1,3,5-trihydroxy-5-methylhexane-2,4-dione is sourced from PubChem (CID 73357394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).