(2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol

C9H19NO7 — CID 91858294

IUPAC(2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1[C@H](OCC(O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H19NO7/c10-6-8(15)7(14)5(2-12)17-9(6)16-3-4(13)1-11/h4-9,11-15H,1-3,10H2/t4?,5-,6-,7-,8-,9-/m1/s1
InChIKeyFFALEOSYTYGFGT-IBRRMBKCSA-N
MW253.25 g/mol
LogP-3.88
Rot. Bonds5

About (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol

(2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 91858294) has the molecular formula C9H19NO7 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID91858294
Molecular FormulaC9H19NO7
Molecular Weight253.25 g/mol
Exact Mass253.12
IUPAC Name(2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1[C@H](OCC(O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H19NO7/c10-6-8(15)7(14)5(2-12)17-9(6)16-3-4(13)1-11/h4-9,11-15H,1-3,10H2/t4?,5-,6-,7-,8-,9-/m1/s1
InChIKeyFFALEOSYTYGFGT-IBRRMBKCSA-N
XLogP-3.88
TPSA145.63 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.25
LogP ≤ 5-3.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol with MolForge

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Related Compounds

D-Glucosamine
CID 439213
Neamine
CID 72392
beta-D-Glucosamine
CID 441477
D-Galactosamine
CID 24154
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
CID 9859210
Glucosamine 6-sulfate
CID 72361
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol hydrochloride
CID 2723635
6-(alpha-D-glucosaminyl)-1D-myo-inositol
CID 445937
2-Amino-2-Deoxy-Hexose
CID 739
beta-D-galactosamine
CID 449462
Paromamine
CID 439560
Muramic acid
CID 441038

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol (CID 91858294) is (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol is N[C@H]1[C@H](OCC(O)CO)O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is FFALEOSYTYGFGT-IBRRMBKCSA-N. The full InChI is InChI=1S/C9H19NO7/c10-6-8(15)7(14)5(2-12)17-9(6)16-3-4(13)1-11/h4-9,11-15H,1-3,10H2/t4?,5-,6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 253.25 g/mol, XLogP of -3.88, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6R)-5-amino-6-(2,3-dihydroxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 91858294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).