(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide

C6H11NO6 — CID 636367

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IUPAC(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide
SMILESNC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-4,6,8-10,12H,(H2,7,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyVOIFKEWOFUNPBN-QIUUJYRFSA-N
MW193.16 g/mol
LogP-3.73
Rot. Bonds1

About (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide

(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide (PubChem CID 636367) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide
PubChem CID636367
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide
SMILESNC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H11NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-4,6,8-10,12H,(H2,7,11)/t1-,2-,3+,4-,6+/m0/s1
InChIKeyVOIFKEWOFUNPBN-QIUUJYRFSA-N
XLogP-3.73
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 ≤ 5-3.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

Alpha-D-Glucopyranosyl-2-Carboxylic Acid Amide
CID 445825
C-(1-Hydrogyl-Beta-D-Glucopyranosyl) Formamide
CID 447771
3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid amide
CID 4632554
(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
CID 44354665
(2R,4S,5R)-2,3,4,5-tetrahydroxyoxane-2-carboxamide
CID 44328450
(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
CID 44328569
(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
CID 44328780
2,3,4,5-Tetrahydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid amide
CID 44328794
(S)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid amide
CID 44335642
(R)-3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-carboxylic acid amide
CID 44335668
(2R,3S,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-tetrahydro-2-furancarboxamide
CID 44576538
GlyTouCan:G44593RJ
CID 56629412

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide (CID 636367) is (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide is NC(=O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The InChIKey is VOIFKEWOFUNPBN-QIUUJYRFSA-N. The full InChI is InChI=1S/C6H11NO6/c7-5(11)4-2(9)1(8)3(10)6(12)13-4/h1-4,6,8-10,12H,(H2,7,11)/t1-,2-,3+,4-,6+/m0/s1.
What are the key properties of (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide has a molecular weight of 193.16 g/mol, XLogP of -3.73, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide is sourced from PubChem (CID 636367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).