(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane

C9H23NO5 — CID 158281712

IUPAC(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
SMILESC.C.CC1O[C@@H](OCN)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C7H15NO5.2CH4/c1-3-4(9)5(10)6(11)7(13-3)12-2-8;;/h3-7,9-11H,2,8H2,1H3;2*1H4/t3?,4-,5?,6-,7+;;/m0../s1
InChIKeyGKHIDSDTCRTQCX-AWNRGRTQSA-N
MW225.28 g/mol
LogP-0.98
Rot. Bonds2

About (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane

(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane (PubChem CID 158281712) has the molecular formula C9H23NO5 and a molecular weight of 225.28 g/mol. Its IUPAC name is (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane.

Molecular Properties

Compound Name(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
PubChem CID158281712
Molecular FormulaC9H23NO5
Molecular Weight225.28 g/mol
Exact Mass225.16
IUPAC Name(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
SMILESC.C.CC1O[C@@H](OCN)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C7H15NO5.2CH4/c1-3-4(9)5(10)6(11)7(13-3)12-2-8;;/h3-7,9-11H,2,8H2,1H3;2*1H4/t3?,4-,5?,6-,7+;;/m0../s1
InChIKeyGKHIDSDTCRTQCX-AWNRGRTQSA-N
XLogP-0.98
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane?
The IUPAC name of (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane (CID 158281712) is (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane.
What is the SMILES notation for (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane?
The canonical SMILES for (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane is C.C.CC1O[C@@H](OCN)[C@@H](O)C(O)[C@H]1O.
What is the InChIKey of (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane?
The InChIKey is GKHIDSDTCRTQCX-AWNRGRTQSA-N. The full InChI is InChI=1S/C7H15NO5.2CH4/c1-3-4(9)5(10)6(11)7(13-3)12-2-8;;/h3-7,9-11H,2,8H2,1H3;2*1H4/t3?,4-,5?,6-,7+;;/m0../s1.
What are the key properties of (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane?
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane has a molecular weight of 225.28 g/mol, XLogP of -0.98, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane is sourced from PubChem (CID 158281712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).