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

C7H15NO5 — CID 22811988

IUPAC(3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol
SMILESCC1(N)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO5/c1-7(8)6(12)5(11)4(10)3(2-9)13-7/h3-6,9-12H,2,8H2,1H3/t3-,4-,5+,6-,7?/m1/s1
InChIKeyBEEKEJJLRIERCT-WLDMJGECSA-N
MW193.20 g/mol
LogP-2.86
Rot. Bonds1

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

(3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol (PubChem CID 22811988) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol
PubChem CID22811988
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name(3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol
SMILESCC1(N)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H15NO5/c1-7(8)6(12)5(11)4(10)3(2-9)13-7/h3-6,9-12H,2,8H2,1H3/t3-,4-,5+,6-,7?/m1/s1
InChIKeyBEEKEJJLRIERCT-WLDMJGECSA-N
XLogP-2.86
TPSA116.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-2.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol?
The IUPAC name of (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol (CID 22811988) is (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol.
What is the SMILES notation for (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol?
The canonical SMILES for (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol is CC1(N)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol?
The InChIKey is BEEKEJJLRIERCT-WLDMJGECSA-N. The full InChI is InChI=1S/C7H15NO5/c1-7(8)6(12)5(11)4(10)3(2-9)13-7/h3-6,9-12H,2,8H2,1H3/t3-,4-,5+,6-,7?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol?
(3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol has a molecular weight of 193.20 g/mol, XLogP of -2.86, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-2-amino-6-(hydroxymethyl)-2-methyloxane-3,4,5-triol is sourced from PubChem (CID 22811988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).