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

C6H11NO5 — CID 54053489

IUPAC(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESNC(=O)C1O[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-SOOFDHNKSA-N
MW177.16 g/mol
LogP-3.05
Rot. Bonds2

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

(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide (PubChem CID 54053489) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
PubChem CID54053489
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Name(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
SMILESNC(=O)C1O[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-SOOFDHNKSA-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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Related Compounds

(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylic acid
CID 175420353
sodium (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 175921986
(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide
CID 44538125
ethyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 59036373
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboximidamide
CID 154723410
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2S,3S,4S,5R)-N-ethyl-3,4-dihydroxy-5-(hydroxymethyl)-N-methyloxolane-2-carboxamide
CID 44538638
4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxane-2-carboxylic acid
CID 78039136

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The IUPAC name of (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide (CID 54053489) is (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide.
What is the SMILES notation for (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The canonical SMILES for (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide is NC(=O)C1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
The InChIKey is LUOWZDBIUCNQSS-SOOFDHNKSA-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 (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide?
(3R,4S,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 (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide is sourced from PubChem (CID 54053489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).