N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide

C14H25NO9 — CID 71661999

IUPACN,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide
SMILESCO[C@@H]1O[C@H](CN(C[C@H]2O[C@@H](OC)[C@H](O)[C@@H]2O)C(C)=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H25NO9/c1-6(16)15(4-7-9(17)11(19)13(21-2)23-7)5-8-10(18)12(20)14(22-3)24-8/h7-14,17-20H,4-5H2,1-3H3/t7-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyHQKODPDITHBERB-JOSLGPENSA-N
MW351.35 g/mol
LogP-2.98
Rot. Bonds6

About N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide

N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide (PubChem CID 71661999) has the molecular formula C14H25NO9 and a molecular weight of 351.35 g/mol. Its IUPAC name is N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide
PubChem CID71661999
Molecular FormulaC14H25NO9
Molecular Weight351.35 g/mol
Exact Mass351.15
IUPAC NameN,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide
SMILESCO[C@@H]1O[C@H](CN(C[C@H]2O[C@@H](OC)[C@H](O)[C@@H]2O)C(C)=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H25NO9/c1-6(16)15(4-7-9(17)11(19)13(21-2)23-7)5-8-10(18)12(20)14(22-3)24-8/h7-14,17-20H,4-5H2,1-3H3/t7-,8-,9-,10-,11-,12-,13-,14-/m1/s1
InChIKeyHQKODPDITHBERB-JOSLGPENSA-N
XLogP-2.98
TPSA138.15 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 5-2.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide?
The IUPAC name of N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide (CID 71661999) is N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide?
The canonical SMILES for N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide is CO[C@@H]1O[C@H](CN(C[C@H]2O[C@@H](OC)[C@H](O)[C@@H]2O)C(C)=O)[C@@H](O)[C@H]1O.
What is the InChIKey of N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide?
The InChIKey is HQKODPDITHBERB-JOSLGPENSA-N. The full InChI is InChI=1S/C14H25NO9/c1-6(16)15(4-7-9(17)11(19)13(21-2)23-7)5-8-10(18)12(20)14(22-3)24-8/h7-14,17-20H,4-5H2,1-3H3/t7-,8-,9-,10-,11-,12-,13-,14-/m1/s1.
What are the key properties of N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide?
N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide has a molecular weight of 351.35 g/mol, XLogP of -2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 71661999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).