(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol

C13H23NO11 — CID 54690731

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
SMILESCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C7H15NO5.C6H8O6/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;7-1-2(8)5-3(9)4(10)6(11)12-5/h3-12H,2H2,1H3;2,5,7-10H,1H2/t3-,4-,5-,6-,7-;2-,5+/m10/s1
InChIKeyRKSVGEDEFPRUCE-GUSWSNBLSA-N
MW369.32 g/mol
LogP-4.40
Rot. Bonds4

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol (PubChem CID 54690731) has the molecular formula C13H23NO11 and a molecular weight of 369.32 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
PubChem CID54690731
Molecular FormulaC13H23NO11
Molecular Weight369.32 g/mol
Exact Mass369.13
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol
SMILESCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C7H15NO5.C6H8O6/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;7-1-2(8)5-3(9)4(10)6(11)12-5/h3-12H,2H2,1H3;2,5,7-10H,1H2/t3-,4-,5-,6-,7-;2-,5+/m10/s1
InChIKeyRKSVGEDEFPRUCE-GUSWSNBLSA-N
XLogP-4.40
TPSA209.40 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500369.32
LogP ≤ 5-4.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol (CID 54690731) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol is CN[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
The InChIKey is RKSVGEDEFPRUCE-GUSWSNBLSA-N. The full InChI is InChI=1S/C7H15NO5.C6H8O6/c1-8-4-6(11)5(10)3(2-9)13-7(4)12;7-1-2(8)5-3(9)4(10)6(11)12-5/h3-12H,2H2,1H3;2,5,7-10H,1H2/t3-,4-,5-,6-,7-;2-,5+/m10/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol has a molecular weight of 369.32 g/mol, XLogP of -4.40, 4 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(methylamino)oxane-2,4,5-triol is sourced from PubChem (CID 54690731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).