2-amino-6-methyloxane-3,4,5-triol

C6H13NO4 — CID 4218932

IUPAC2-amino-6-methyloxane-3,4,5-triol
SMILESCC1OC(N)C(O)C(O)C1O
InChIInChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3
InChIKeyUTVXFQMLZSPQLB-UHFFFAOYSA-N
MW163.17 g/mol
LogP-2.23
Rot. Bonds

About 2-amino-6-methyloxane-3,4,5-triol

2-amino-6-methyloxane-3,4,5-triol (PubChem CID 4218932) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-amino-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-amino-6-methyloxane-3,4,5-triol
PubChem CID4218932
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-amino-6-methyloxane-3,4,5-triol
SMILESCC1OC(N)C(O)C(O)C1O
InChIInChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3
InChIKeyUTVXFQMLZSPQLB-UHFFFAOYSA-N
XLogP-2.23
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5S,6R)-2-amino-6-methyloxane-3,4,5-triol
CID 70182320
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
CID 58545377
CID 58545377
(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
CID 59078216
(2S,3R,4S,5R,6S)-6-aminooxane-2,3,4,5-tetrol
CID 134274851
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
CID 89232142
CID 171369816
CID 171369816
(3S,4R,5S,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 101369112
(2R,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol;(2R,3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol
CID 129314639
(3S,4R,5R)-6-methyloxane-2,3,4,5-tetrol
CID 59897521
(3R,4R,5R,6S)-6-methyl(213C)oxane-2,3,4,5-tetrol
CID 90472741
(3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol;hydrate
CID 135391148

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-amino-6-methyloxane-3,4,5-triol (CID 4218932) is 2-amino-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-amino-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-amino-6-methyloxane-3,4,5-triol is CC1OC(N)C(O)C(O)C1O.
What is the InChIKey of 2-amino-6-methyloxane-3,4,5-triol?
The InChIKey is UTVXFQMLZSPQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3.
What are the key properties of 2-amino-6-methyloxane-3,4,5-triol?
2-amino-6-methyloxane-3,4,5-triol has a molecular weight of 163.17 g/mol, XLogP of -2.23, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 4218932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).