(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol

C6H14N2O3 — CID 139845790

IUPAC(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
SMILESN[C@@H]1CNC[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H14N2O3/c7-3-1-8-2-4(9)6(11)5(3)10/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6+/m1/s1
InChIKeyGDNRORDMZPCLEU-KAZBKCHUSA-N
MW162.19 g/mol
LogP-3.00
Rot. Bonds

About (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol

(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol (PubChem CID 139845790) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
PubChem CID139845790
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol
SMILESN[C@@H]1CNC[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H14N2O3/c7-3-1-8-2-4(9)6(11)5(3)10/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6+/m1/s1
InChIKeyGDNRORDMZPCLEU-KAZBKCHUSA-N
XLogP-3.00
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-3.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-aminopyrrolidin-3-ol
CID 10725920
(3R,5R)-piperidine-3,4,5-triol
CID 10464382
piperidine-3,4,5-triol;hydrochloride
CID 73223230
(6S,7S)-7-amino-1,4-diazocan-6-ol
CID 59071597
(3S,4R,5S)-3-amino-5-(hydroxymethyl)piperidin-4-ol
CID 101020792
(3R,4S,5R,6R)-6-(hydroxymethyl)azepane-3,4,5-triol;hydrochloride
CID 56949706
(3R,4S,5R,6R)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950388
(3R,4R)-5-(hydroxymethyl)piperidine-3,4-diol;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
CID 159190224
(3R,4S,5R,6S)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950390
(3S,4R,5S)-5-(hydroxymethyl)piperidine-3,4-diol
CID 10510991
6-methoxyazepane-3,4,5-triol
CID 18417377
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol?
The IUPAC name of (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol (CID 139845790) is (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol?
The canonical SMILES for (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol is N[C@@H]1CNC[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol?
The InChIKey is GDNRORDMZPCLEU-KAZBKCHUSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-3-1-8-2-4(9)6(11)5(3)10/h3-6,8-11H,1-2,7H2/t3-,4-,5-,6+/m1/s1.
What are the key properties of (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol?
(3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol has a molecular weight of 162.19 g/mol, XLogP of -3.00, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6R)-6-aminoazepane-3,4,5-triol is sourced from PubChem (CID 139845790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).