(2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol

C10H23NO4 — CID 176998974

IUPAC(2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol
SMILESCC(C)(O)O.CO[C@H]1CC[C@@H](N)[C@H](C)O1
InChIInChI=1S/C7H15NO2.C3H8O2/c1-5-6(8)3-4-7(9-2)10-5;1-3(2,4)5/h5-7H,3-4,8H2,1-2H3;4-5H,1-2H3/t5-,6+,7+;/m0./s1
InChIKeyGAOHKSRAZVMXMK-VWZUFWLJSA-N
MW221.30 g/mol
LogP0.19
Rot. Bonds1

About (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol

(2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol (PubChem CID 176998974) has the molecular formula C10H23NO4 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol.

Molecular Properties

Compound Name(2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol
PubChem CID176998974
Molecular FormulaC10H23NO4
Molecular Weight221.30 g/mol
Exact Mass221.16
IUPAC Name(2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol
SMILESCC(C)(O)O.CO[C@H]1CC[C@@H](N)[C@H](C)O1
InChIInChI=1S/C7H15NO2.C3H8O2/c1-5-6(8)3-4-7(9-2)10-5;1-3(2,4)5/h5-7H,3-4,8H2,1-2H3;4-5H,1-2H3/t5-,6+,7+;/m0./s1
InChIKeyGAOHKSRAZVMXMK-VWZUFWLJSA-N
XLogP0.19
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,6R)-6-methoxy-2-methyloxan-3-amine
CID 55284490
5-methoxy-2-methyloxolan-3-amine
CID 163994899
(2R)-6-methoxy-2-methyloxan-3-ol
CID 145387170
(5R)-2-methoxy-5-methyloxolane
CID 70228275
3,6-dimethoxy-2-methyloxane;ethane
CID 145337988
(2S,3R,4S)-4-amino-6-methoxy-2-methyloxan-3-ol
CID 70527934
(2R,3R,4S,6S)-3-amino-6-methoxy-2-methyloxan-4-ol
CID 130909200
(5-methoxyoxolan-2-yl)methyl trifluoromethanesulfonate;propane-2,2-diol
CID 144617421
methanol;2-methoxy-6-methyloxane
CID 143625427
(2S,5R)-2-methoxy-5-[(2R,5S)-5-methoxyoxolan-2-yl]oxolane
CID 71424305
6-ethyl-2-methyloxan-3-amine
CID 90910349
(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768

Frequently Asked Questions

What is the IUPAC name of (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol?
The IUPAC name of (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol (CID 176998974) is (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol.
What is the SMILES notation for (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol?
The canonical SMILES for (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol is CC(C)(O)O.CO[C@H]1CC[C@@H](N)[C@H](C)O1.
What is the InChIKey of (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol?
The InChIKey is GAOHKSRAZVMXMK-VWZUFWLJSA-N. The full InChI is InChI=1S/C7H15NO2.C3H8O2/c1-5-6(8)3-4-7(9-2)10-5;1-3(2,4)5/h5-7H,3-4,8H2,1-2H3;4-5H,1-2H3/t5-,6+,7+;/m0./s1.
What are the key properties of (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol?
(2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol has a molecular weight of 221.30 g/mol, XLogP of 0.19, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,6R)-6-methoxy-2-methyloxan-3-amine;propane-2,2-diol is sourced from PubChem (CID 176998974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).