4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide

C12H23NO8 — CID 20683780

IUPAC4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
SMILESCOC1(C(=O)N(C)C)CC(O)C(O)C(C(O)C(O)CO)O1
InChIInChI=1S/C12H23NO8/c1-13(2)11(19)12(20-3)4-6(15)8(17)10(21-12)9(18)7(16)5-14/h6-10,14-18H,4-5H2,1-3H3
InChIKeyILSGOVOFLGXCIE-UHFFFAOYSA-N
MW309.32 g/mol
LogP-3.36
Rot. Bonds5

About 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide

4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide (PubChem CID 20683780) has the molecular formula C12H23NO8 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide.

Molecular Properties

Compound Name4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
PubChem CID20683780
Molecular FormulaC12H23NO8
Molecular Weight309.32 g/mol
Exact Mass309.14
IUPAC Name4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide
SMILESCOC1(C(=O)N(C)C)CC(O)C(O)C(C(O)C(O)CO)O1
InChIInChI=1S/C12H23NO8/c1-13(2)11(19)12(20-3)4-6(15)8(17)10(21-12)9(18)7(16)5-14/h6-10,14-18H,4-5H2,1-3H3
InChIKeyILSGOVOFLGXCIE-UHFFFAOYSA-N
XLogP-3.36
TPSA139.92 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-3.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The IUPAC name of 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide (CID 20683780) is 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide.
What is the SMILES notation for 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The canonical SMILES for 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide is COC1(C(=O)N(C)C)CC(O)C(O)C(C(O)C(O)CO)O1.
What is the InChIKey of 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
The InChIKey is ILSGOVOFLGXCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO8/c1-13(2)11(19)12(20-3)4-6(15)8(17)10(21-12)9(18)7(16)5-14/h6-10,14-18H,4-5H2,1-3H3.
What are the key properties of 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide?
4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide has a molecular weight of 309.32 g/mol, XLogP of -3.36, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-2-methoxy-N,N-dimethyl-6-(1,2,3-trihydroxypropyl)oxane-2-carboxamide is sourced from PubChem (CID 20683780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).