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

C8H17NO4 — CID 102165178

IUPAC(3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
SMILESCC1(C)O[C@H](CO)[C@H](N)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17NO4/c1-8(2)7(12)6(11)5(9)4(3-10)13-8/h4-7,10-12H,3,9H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChIKeyUPLFMPQOXUVOPM-JRTVQGFMSA-N
MW191.23 g/mol
LogP-1.79
Rot. Bonds1

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

(3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol (PubChem CID 102165178) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
PubChem CID102165178
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name(3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
SMILESCC1(C)O[C@H](CO)[C@H](N)[C@H](O)[C@H]1O
InChIInChI=1S/C8H17NO4/c1-8(2)7(12)6(11)5(9)4(3-10)13-8/h4-7,10-12H,3,9H2,1-2H3/t4-,5+,6+,7-/m1/s1
InChIKeyUPLFMPQOXUVOPM-JRTVQGFMSA-N
XLogP-1.79
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol?
The IUPAC name of (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol (CID 102165178) is (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol.
What is the SMILES notation for (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol?
The canonical SMILES for (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol is CC1(C)O[C@H](CO)[C@H](N)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol?
The InChIKey is UPLFMPQOXUVOPM-JRTVQGFMSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2)7(12)6(11)5(9)4(3-10)13-8/h4-7,10-12H,3,9H2,1-2H3/t4-,5+,6+,7-/m1/s1.
What are the key properties of (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol?
(3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol has a molecular weight of 191.23 g/mol, XLogP of -1.79, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol is sourced from PubChem (CID 102165178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).