(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide

C6H11NO5 — CID 44576538

IUPAC(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESNC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO5/c7-6(11)5-4(10)3(9)2(1-8)12-5/h2-5,8-10H,1H2,(H2,7,11)/t2-,3+,4+,5-/m1/s1
InChIKeyLUOWZDBIUCNQSS-MGCNEYSASA-N
MW177.16 g/mol
LogP-3.05
Rot. Bonds2

About (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide

(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide (PubChem CID 44576538) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
PubChem CID44576538
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESNC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO5/c7-6(11)5-4(10)3(9)2(1-8)12-5/h2-5,8-10H,1H2,(H2,7,11)/t2-,3+,4+,5-/m1/s1
InChIKeyLUOWZDBIUCNQSS-MGCNEYSASA-N
XLogP-3.05
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-3.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide (CID 44576538) is (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide is NC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The InChIKey is LUOWZDBIUCNQSS-MGCNEYSASA-N. The full InChI is InChI=1S/C6H11NO5/c7-6(11)5-4(10)3(9)2(1-8)12-5/h2-5,8-10H,1H2,(H2,7,11)/t2-,3+,4+,5-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide has a molecular weight of 177.16 g/mol, XLogP of -3.05, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide is sourced from PubChem (CID 44576538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).