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

C6H11NO6 — CID 162953264

IUPAC(2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid
SMILESN[C@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1O
InChIInChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2+,3-,4+,6-/m0/s1
InChIKeyCRIPFXSBMSGPKB-FOSXNRGSSA-N
MW193.16 g/mol
LogP-3.16
Rot. Bonds1

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

(2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid (PubChem CID 162953264) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid
PubChem CID162953264
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name(2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid
SMILESN[C@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1O
InChIInChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2+,3-,4+,6-/m0/s1
InChIKeyCRIPFXSBMSGPKB-FOSXNRGSSA-N
XLogP-3.16
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 5-3.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid (CID 162953264) is (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid is N[C@H]1[C@@H](O)[C@H](O)[C@H](C(=O)O)O[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid?
The InChIKey is CRIPFXSBMSGPKB-FOSXNRGSSA-N. The full InChI is InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2+,3-,4+,6-/m0/s1.
What are the key properties of (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid?
(2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of -3.16, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-5-amino-3,4,6-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 162953264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).