N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide

C8H15NO6 — CID 58719497

IUPACN-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide
SMILESCCNC(=O)C1OC(O)C(O)C(O)C1O
InChIInChI=1S/C8H15NO6/c1-2-9-7(13)6-4(11)3(10)5(12)8(14)15-6/h3-6,8,10-12,14H,2H2,1H3,(H,9,13)
InChIKeyWMKRJNACZSPMSL-UHFFFAOYSA-N
MW221.21 g/mol
LogP-3.08
Rot. Bonds2

About N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide

N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide (PubChem CID 58719497) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide
PubChem CID58719497
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC NameN-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide
SMILESCCNC(=O)C1OC(O)C(O)C(O)C1O
InChIInChI=1S/C8H15NO6/c1-2-9-7(13)6-4(11)3(10)5(12)8(14)15-6/h3-6,8,10-12,14H,2H2,1H3,(H,9,13)
InChIKeyWMKRJNACZSPMSL-UHFFFAOYSA-N
XLogP-3.08
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-3.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

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(2S,3S,4S,5R)-3,4,5-trihydroxy-N-octyl-6-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(octylcarbamoyl)oxan-2-yl]oxyoxane-2-carboxamide
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hyaluronic acid, sodium salt
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The IUPAC name of N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide (CID 58719497) is N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide.
What is the SMILES notation for N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The canonical SMILES for N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide is CCNC(=O)C1OC(O)C(O)C(O)C1O.
What is the InChIKey of N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
The InChIKey is WMKRJNACZSPMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6/c1-2-9-7(13)6-4(11)3(10)5(12)8(14)15-6/h3-6,8,10-12,14H,2H2,1H3,(H,9,13).
What are the key properties of N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide?
N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide has a molecular weight of 221.21 g/mol, XLogP of -3.08, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,5,6-tetrahydroxyoxane-2-carboxamide is sourced from PubChem (CID 58719497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).