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

C9H19NO6 — CID 90977217

IUPAC(2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1CC(O)CO
InChIInChI=1S/C9H19NO6/c10-7-5(1-4(13)2-11)16-6(3-12)8(14)9(7)15/h4-9,11-15H,1-3,10H2/t4?,5-,6+,7+,8+,9+/m0/s1
InChIKeyVZZPUPOQMIYOIO-GDKCNIHQSA-N
MW237.25 g/mol
LogP-3.46
Rot. Bonds4

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

(2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol (PubChem CID 90977217) has the molecular formula C9H19NO6 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol
PubChem CID90977217
Molecular FormulaC9H19NO6
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name(2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol
SMILESN[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1CC(O)CO
InChIInChI=1S/C9H19NO6/c10-7-5(1-4(13)2-11)16-6(3-12)8(14)9(7)15/h4-9,11-15H,1-3,10H2/t4?,5-,6+,7+,8+,9+/m0/s1
InChIKeyVZZPUPOQMIYOIO-GDKCNIHQSA-N
XLogP-3.46
TPSA136.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.25
LogP ≤ 5-3.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2R,3S,4R,5R,6R)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 10368367
(2S,3R,4R,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11321470
1-Deoxyglucosamine
CID 169430
Methyl 1-thiolincosaminide
CID 22294670
(2R,3S,4R,5R,6S)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 71612623
(2R,3R,4R,5R,6S)-5-amino-6-(3-hexadecoxy-2-methoxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 90671603
(2R,3S,4R,5R,6S)-5-amino-6-(3-hexadecoxy-2-methoxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 90671693
(2R,3S,4R,5R,6R)-5-amino-6-(3-hexadecoxy-2-methoxypropoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 90671694
(2S,3R,4S,5S,6S)-5-amino-6-[(2R)-3-hexadecoxy-2-methoxypropoxy]-2-(hydroxymethyl)oxane-3,4-diol
CID 118718723
2-Aminomethyl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
CID 13472018
(2R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44335097
(2R,3R,4R,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44354841

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol (CID 90977217) is (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol is N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1CC(O)CO.
What is the InChIKey of (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is VZZPUPOQMIYOIO-GDKCNIHQSA-N. The full InChI is InChI=1S/C9H19NO6/c10-7-5(1-4(13)2-11)16-6(3-12)8(14)9(7)15/h4-9,11-15H,1-3,10H2/t4?,5-,6+,7+,8+,9+/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol?
(2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 237.25 g/mol, XLogP of -3.46, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-5-amino-6-(2,3-dihydroxypropyl)-2-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 90977217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).