(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one

C7H15NO5 — CID 22797763

IUPAC(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one
SMILESCC(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5/c1-3(10)5(8)7(13)6(12)4(11)2-9/h4-7,9,11-13H,2,8H2,1H3/t4-,5+,6-,7-/m1/s1
InChIKeyJXQZSKIYXHGYCP-XZBKPIIZSA-N
MW193.20 g/mol
LogP-3.02
Rot. Bonds5

About (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one

(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one (PubChem CID 22797763) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one.

Molecular Properties

Compound Name(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one
PubChem CID22797763
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one
SMILESCC(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO5/c1-3(10)5(8)7(13)6(12)4(11)2-9/h4-7,9,11-13H,2,8H2,1H3/t4-,5+,6-,7-/m1/s1
InChIKeyJXQZSKIYXHGYCP-XZBKPIIZSA-N
XLogP-3.02
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-3.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one with MolForge

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Related Compounds

(4R,5R,6R,7R)-4-amino-5,6,7,8-tetrahydroxyoctane-2,3-dione
CID 22816133
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
(3S,4R,5S,6S)-3,4,5,6,7-pentahydroxyheptan-2-one
CID 122415477
3,4,5,6,7-pentahydroxyheptan-2-one;hydrate
CID 174796405
2-aminopropanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174331247
3,4,5,6,7,8-hexahydroxyoctan-2-one
CID 88547731
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
copper;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol;diacetate
CID 159153251
(6R,7R,8S,9R)-6-amino-7,8,9,10-tetrahydroxydecane-4,5-dione
CID 87436465
(2S,3S,4S)-2-amino-3,4,5-trihydroxypentanoic acid
CID 11126623
(9S,10R,11R,12R)-3-amino-9,10,11,12,13-pentahydroxytridecane-2,6-dione
CID 147949232
(3R,4S,5R,6R)-3,4,5,6,7-pentahydroxyheptan-2-one;tris(propane-1,2,3-triol)
CID 173183556

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one?
The IUPAC name of (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one (CID 22797763) is (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one.
What is the SMILES notation for (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one?
The canonical SMILES for (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one is CC(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one?
The InChIKey is JXQZSKIYXHGYCP-XZBKPIIZSA-N. The full InChI is InChI=1S/C7H15NO5/c1-3(10)5(8)7(13)6(12)4(11)2-9/h4-7,9,11-13H,2,8H2,1H3/t4-,5+,6-,7-/m1/s1.
What are the key properties of (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one?
(3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one has a molecular weight of 193.20 g/mol, XLogP of -3.02, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-3-amino-4,5,6,7-tetrahydroxyheptan-2-one is sourced from PubChem (CID 22797763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).