(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid

C7H15NO8 — CID 66583672

IUPAC(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=C(O)O
InChIInChI=1S/C6H13NO5.CH2O3/c7-3-5(10)4(9)2(1-8)12-6(3)11;2-1(3)4/h2-6,8-11H,1,7H2;(H2,2,3,4)/t2-,3-,4-,5-,6-;/m1./s1
InChIKeyGXSGPJXXKRJIIS-OCOFDJSDSA-N
MW241.20 g/mol
LogP-3.03
Rot. Bonds1

About (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid

(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid (PubChem CID 66583672) has the molecular formula C7H15NO8 and a molecular weight of 241.20 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
PubChem CID66583672
Molecular FormulaC7H15NO8
Molecular Weight241.20 g/mol
Exact Mass241.08
IUPAC Name(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid
SMILESN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=C(O)O
InChIInChI=1S/C6H13NO5.CH2O3/c7-3-5(10)4(9)2(1-8)12-6(3)11;2-1(3)4/h2-6,8-11H,1,7H2;(H2,2,3,4)/t2-,3-,4-,5-,6-;/m1./s1
InChIKeyGXSGPJXXKRJIIS-OCOFDJSDSA-N
XLogP-3.03
TPSA173.70 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.20
LogP ≤ 5-3.03
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4S,5R,6S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7568496
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3S,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;(3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 162091299
(4R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58456000
(5S)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67457513
(2S,3R,4S,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 6551011
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;butanedioic acid
CID 158933659
(2S,3R,5R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrochloride
CID 159661735
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;sulfane
CID 174539806
actinium;(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58582833
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydrofluoride
CID 139962183
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;hydroxyurea
CID 87903136
(2R,3S,4S,5R)-3-amino-5-(hydroxymethyl)oxolane-2,4-diol
CID 55288704

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid?
The IUPAC name of (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid (CID 66583672) is (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid.
What is the SMILES notation for (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid?
The canonical SMILES for (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid is N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=C(O)O.
What is the InChIKey of (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid?
The InChIKey is GXSGPJXXKRJIIS-OCOFDJSDSA-N. The full InChI is InChI=1S/C6H13NO5.CH2O3/c7-3-5(10)4(9)2(1-8)12-6(3)11;2-1(3)4/h2-6,8-11H,1,7H2;(H2,2,3,4)/t2-,3-,4-,5-,6-;/m1./s1.
What are the key properties of (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid?
(2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid has a molecular weight of 241.20 g/mol, XLogP of -3.03, 1 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol;carbonic acid is sourced from PubChem (CID 66583672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).