(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol

C6H13ClN2O3 — CID 22816603

IUPAC(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol
SMILESNC[C@H]1OC(Cl)[C@H](N)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13ClN2O3/c7-6-3(9)5(11)4(10)2(1-8)12-6/h2-6,10-11H,1,8-9H2/t2-,3-,4-,5-,6?/m1/s1
InChIKeyIDEBXVPFPSKBTG-IVMDWMLBSA-N
MW196.63 g/mol
LogP-2.04
Rot. Bonds1

About (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol

(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol (PubChem CID 22816603) has the molecular formula C6H13ClN2O3 and a molecular weight of 196.63 g/mol. Its IUPAC name is (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol
PubChem CID22816603
Molecular FormulaC6H13ClN2O3
Molecular Weight196.63 g/mol
Exact Mass196.06
IUPAC Name(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol
SMILESNC[C@H]1OC(Cl)[C@H](N)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H13ClN2O3/c7-6-3(9)5(11)4(10)2(1-8)12-6/h2-6,10-11H,1,8-9H2/t2-,3-,4-,5-,6?/m1/s1
InChIKeyIDEBXVPFPSKBTG-IVMDWMLBSA-N
XLogP-2.04
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 5-2.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4S,5R,6S)-3-amino-6-(aminomethyl)oxane-2,4,5-triol
CID 125028687
(2R,5R)-5-(aminomethyl)oxolane-2,3,4-triol
CID 89194762
(3R,4R,5R,6S)-6-(aminomethyl)oxane-2,3,4,5-tetrol
CID 71299265
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
CID 59102120
CID 59102120
5-amino-2-(aminomethyl)-6-(4,5-dihydroxyoxolan-3-yl)oxyoxane-3,4-diol
CID 53424220
(2R,3S,4R,5R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2S,4S,5S)-2,4-diamino-5-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 11702250
(2R,3S,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol
CID 56990927
(2R,3R,4R,5R)-2-chloro-5-(hydroxymethyl)oxolane-3,4-diol
CID 70382401
(2R,3R,4S,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxyoxane-3,4-diol
CID 131883848
(3S,5S,6R)-5-amino-6-[(3S,5S,6S)-5-amino-2-(aminomethyl)-4-hydroxy-6-methoxyoxan-3-yl]oxy-2-(aminomethyl)oxane-3,4-diol
CID 70799044

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol (CID 22816603) is (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol is NC[C@H]1OC(Cl)[C@H](N)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol?
The InChIKey is IDEBXVPFPSKBTG-IVMDWMLBSA-N. The full InChI is InChI=1S/C6H13ClN2O3/c7-6-3(9)5(11)4(10)2(1-8)12-6/h2-6,10-11H,1,8-9H2/t2-,3-,4-,5-,6?/m1/s1.
What are the key properties of (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol?
(2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol has a molecular weight of 196.63 g/mol, XLogP of -2.04, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-5-amino-2-(aminomethyl)-6-chlorooxane-3,4-diol is sourced from PubChem (CID 22816603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).