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

C6H11NO6 — CID 44630313

IUPAC(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide
SMILESNC(=O)[C@H]1OC(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-AQKNRBDQSA-N
MW193.16 g/mol
LogP-3.73
Rot. Bonds1

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

(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide (PubChem CID 44630313) has the molecular formula C6H11NO6 and a molecular weight of 193.16 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide
PubChem CID44630313
Molecular FormulaC6H11NO6
Molecular Weight193.16 g/mol
Exact Mass193.06
IUPAC Name(2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide
SMILESNC(=O)[C@H]1OC(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-AQKNRBDQSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The IUPAC name of (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide (CID 44630313) is (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide.
What is the SMILES notation for (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The canonical SMILES for (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide is NC(=O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The InChIKey is VOIFKEWOFUNPBN-AQKNRBDQSA-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)-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
(2S,3S,4S,5R)-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)-3,4,5,6-tetrahydroxyoxane-2-carboxamide is sourced from PubChem (CID 44630313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).