(2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

C6H11NO7 — CID 66669700

IUPAC(2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESN[C@]1(C(=O)O)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO7/c7-6(5(12)13)3(10)1(8)2(9)4(11)14-6/h1-4,8-11H,7H2,(H,12,13)/t1-,2-,3+,4-,6+/m1/s1
InChIKeyGJJPGFNDMBCBAT-HEIGXJMLSA-N
MW209.15 g/mol
LogP-3.84
Rot. Bonds1

About (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid (PubChem CID 66669700) has the molecular formula C6H11NO7 and a molecular weight of 209.15 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
PubChem CID66669700
Molecular FormulaC6H11NO7
Molecular Weight209.15 g/mol
Exact Mass209.05
IUPAC Name(2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
SMILESN[C@]1(C(=O)O)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO7/c7-6(5(12)13)3(10)1(8)2(9)4(11)14-6/h1-4,8-11H,7H2,(H,12,13)/t1-,2-,3+,4-,6+/m1/s1
InChIKeyGJJPGFNDMBCBAT-HEIGXJMLSA-N
XLogP-3.84
TPSA153.47 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.15
LogP ≤ 5-3.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The IUPAC name of (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid (CID 66669700) is (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is N[C@]1(C(=O)O)O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
The InChIKey is GJJPGFNDMBCBAT-HEIGXJMLSA-N. The full InChI is InChI=1S/C6H11NO7/c7-6(5(12)13)3(10)1(8)2(9)4(11)14-6/h1-4,8-11H,7H2,(H,12,13)/t1-,2-,3+,4-,6+/m1/s1.
What are the key properties of (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid?
(2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid has a molecular weight of 209.15 g/mol, XLogP of -3.84, 1 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 66669700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).