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

C7H15NO3 — CID 89232142

IUPAC(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
SMILESCC1O[C@H](C)C(O)C(N)[C@@H]1O
InChIInChI=1S/C7H15NO3/c1-3-6(9)5(8)7(10)4(2)11-3/h3-7,9-10H,8H2,1-2H3/t3-,4?,5?,6?,7-/m1/s1
InChIKeyMFYBZDDOYLEBOT-NGLQOETGSA-N
MW161.20 g/mol
LogP-1.16
Rot. Bonds

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

(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol (PubChem CID 89232142) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol.

Molecular Properties

Compound Name(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
PubChem CID89232142
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol
SMILESCC1O[C@H](C)C(O)C(N)[C@@H]1O
InChIInChI=1S/C7H15NO3/c1-3-6(9)5(8)7(10)4(2)11-3/h3-7,9-10H,8H2,1-2H3/t3-,4?,5?,6?,7-/m1/s1
InChIKeyMFYBZDDOYLEBOT-NGLQOETGSA-N
XLogP-1.16
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4S,5R,6S)-5-amino-2,6-dimethyloxane-3,4-diol
CID 59078216
(2S,3R,4R,5S,6R)-4-amino-2-methoxy-6-methyloxane-3,5-diol
CID 57272442
(2R,3R,5S)-2,6-dimethyloxane-3,4,5-triol
CID 90181496
(2S,3R,4S,5S,6R)-2-amino-6-methyloxane-3,4,5-triol
CID 70182320
2-amino-6-methyloxane-3,4,5-triol
CID 4218932
(3R,4R,6S)-2,4,5,6-tetramethyloxan-3-ol
CID 91529675
(1S,2R,4R,5R,6R)-2,4-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-5-ol
CID 118517804
(1S,2R,4S,5S)-3,6-diaminocyclohexane-1,2,4,5-tetrol
CID 130935032
(1R,2S,3R,5S)-3,5-diamino-6-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-methyloxan-2-yl]oxycyclohexane-1,2,4-triol
CID 3086075
(3R,4R,5S,6S)-5-amino-3-fluoro-6-methyloxane-2,4-diol
CID 54168538
(3S,4R,5S,6R)-5-amino-3-fluoro-6-methyloxane-2,4-diol
CID 130992916
(5S,6S)-4-amino-6-methyloxane-2,5-diol
CID 55284628

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol?
The IUPAC name of (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol (CID 89232142) is (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol.
What is the SMILES notation for (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol?
The canonical SMILES for (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol is CC1O[C@H](C)C(O)C(N)[C@@H]1O.
What is the InChIKey of (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol?
The InChIKey is MFYBZDDOYLEBOT-NGLQOETGSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-6(9)5(8)7(10)4(2)11-3/h3-7,9-10H,8H2,1-2H3/t3-,4?,5?,6?,7-/m1/s1.
What are the key properties of (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol?
(2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol has a molecular weight of 161.20 g/mol, XLogP of -1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-4-amino-2,6-dimethyloxane-3,5-diol is sourced from PubChem (CID 89232142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).