(3R,4R,6R)-4-amino-6-methyloxan-3-ol

C6H13NO2 — CID 173049740

IUPAC(3R,4R,6R)-4-amino-6-methyloxan-3-ol
SMILESC[C@@H]1C[C@@H](N)[C@@H](O)CO1
InChIInChI=1S/C6H13NO2/c1-4-2-5(7)6(8)3-9-4/h4-6,8H,2-3,7H2,1H3/t4-,5-,6+/m1/s1
InChIKeyXBUZJOCTNXCXML-PBXRRBTRSA-N
MW131.17 g/mol
LogP-0.52
Rot. Bonds

About (3R,4R,6R)-4-amino-6-methyloxan-3-ol

(3R,4R,6R)-4-amino-6-methyloxan-3-ol (PubChem CID 173049740) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3R,4R,6R)-4-amino-6-methyloxan-3-ol.

Molecular Properties

Compound Name(3R,4R,6R)-4-amino-6-methyloxan-3-ol
PubChem CID173049740
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3R,4R,6R)-4-amino-6-methyloxan-3-ol
SMILESC[C@@H]1C[C@@H](N)[C@@H](O)CO1
InChIInChI=1S/C6H13NO2/c1-4-2-5(7)6(8)3-9-4/h4-6,8H,2-3,7H2,1H3/t4-,5-,6+/m1/s1
InChIKeyXBUZJOCTNXCXML-PBXRRBTRSA-N
XLogP-0.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Deoxyglucosamine
CID 169430
L-Ristosamine pyranose, (R)-
CID 55289611
4-Aminooxan-3-ol hydrochloride
CID 18523490
trans-4-Aminotetrahydropyran-3-ol
CID 54857363
(3R,4S)-4-aminooxan-3-ol hydrochloride
CID 67324376
(3S,4R)-4-aminooxan-3-ol hydrochloride
CID 70032206
(3S,4S,5S,6R)-5-amino-6-methyloxane-3,4-diol
CID 4369386
AC1Nqhoj
CID 5221810
GlyTouCan:G73588HW
CID 12816798
4-aminotetrahydro-2H-pyran-3-ol
CID 18523491
GlyTouCan:G58645WV
CID 55281492
GlyTouCan:G87815OS
CID 102013063

Frequently Asked Questions

What is the IUPAC name of (3R,4R,6R)-4-amino-6-methyloxan-3-ol?
The IUPAC name of (3R,4R,6R)-4-amino-6-methyloxan-3-ol (CID 173049740) is (3R,4R,6R)-4-amino-6-methyloxan-3-ol.
What is the SMILES notation for (3R,4R,6R)-4-amino-6-methyloxan-3-ol?
The canonical SMILES for (3R,4R,6R)-4-amino-6-methyloxan-3-ol is C[C@@H]1C[C@@H](N)[C@@H](O)CO1.
What is the InChIKey of (3R,4R,6R)-4-amino-6-methyloxan-3-ol?
The InChIKey is XBUZJOCTNXCXML-PBXRRBTRSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-2-5(7)6(8)3-9-4/h4-6,8H,2-3,7H2,1H3/t4-,5-,6+/m1/s1.
What are the key properties of (3R,4R,6R)-4-amino-6-methyloxan-3-ol?
(3R,4R,6R)-4-amino-6-methyloxan-3-ol has a molecular weight of 131.17 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6R)-4-amino-6-methyloxan-3-ol is sourced from PubChem (CID 173049740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).