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

C7H15NO5 — CID 90276853

IUPAC(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
SMILESCC1O[C@@H](OCN)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C7H15NO5/c1-3-4(9)5(10)6(11)7(13-3)12-2-8/h3-7,9-11H,2,8H2,1H3/t3?,4-,5?,6-,7+/m0/s1
InChIKeySHAVEORDJDSUEB-CTLJMDONSA-N
MW193.20 g/mol
LogP-2.25
Rot. Bonds2

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

(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol (PubChem CID 90276853) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
PubChem CID90276853
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol
SMILESCC1O[C@@H](OCN)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C7H15NO5/c1-3-4(9)5(10)6(11)7(13-3)12-2-8/h3-7,9-11H,2,8H2,1H3/t3?,4-,5?,6-,7+/m0/s1
InChIKeySHAVEORDJDSUEB-CTLJMDONSA-N
XLogP-2.25
TPSA105.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.25
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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Related Compounds

(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol;methane
CID 158281712
(2R,3S,4R,5S,6S)-2-(2-bromoethoxy)-6-methyloxane-3,4,5-triol
CID 129411527
(2R,3S,4R,5S,6S)-2-(2-chloroethoxy)-6-methyloxane-3,4,5-triol
CID 102133392
2-methyl-6-(2-sulfanylethoxy)oxane-3,4,5-triol
CID 122463656
(2S,3S,5R)-2-[(2S,4S,5R)-2-[(3S,4R,6R)-6-(aminomethoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 90276848
(2S,3R,4R,5R,6S)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 134936569
(3S,6R)-2-methyl-6-(3-methylbutoxy)oxane-3,4,5-triol
CID 153067799
(3R)-2-methyl-6-prop-2-enoxyoxane-3,4,5-triol
CID 160723234
(2S,3R,4S,5S,6R)-2-(3-methoxypropoxy)-6-methyloxane-3,4,5-triol
CID 163622719
(2R,3R,4S,5R,6R)-2-(2-hydroxypropoxy)-6-methyloxane-3,4,5-triol
CID 24859094
(3S,4R,5S,6S)-2-dodecoxy-6-methyloxane-3,4,5-triol
CID 90849789
(2R,3R,4S,5R,6R)-2-heptoxy-6-methyloxane-3,4,5-triol
CID 102241828

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol?
The IUPAC name of (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol (CID 90276853) is (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol is 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?
The InChIKey is SHAVEORDJDSUEB-CTLJMDONSA-N. The full InChI is InChI=1S/C7H15NO5/c1-3-4(9)5(10)6(11)7(13-3)12-2-8/h3-7,9-11H,2,8H2,1H3/t3?,4-,5?,6-,7+/m0/s1.
What are the key properties of (2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol?
(2S,3S,5R)-2-(aminomethoxy)-6-methyloxane-3,4,5-triol has a molecular weight of 193.20 g/mol, XLogP of -2.25, 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 is sourced from PubChem (CID 90276853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).