N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide

C14H28NO4P — CID 59036371

IUPACN-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide
SMILES[2H]C([3H])OC[C@H]1O[C@@H](COP(C)C)[C@H](NC(C)=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H28NO4P/c1-9-10(2)14(15-11(3)16)13(8-18-20(5)6)19-12(9)7-17-4/h9-10,12-14H,7-8H2,1-6H3,(H,15,16)/t9-,10-,12+,13-,14+/m0/s1/i4TD/t4?,9-,10-,12+,13-,14+
InChIKeyNDZWOODOKSKSAR-RZSJRTRLSA-N
MW308.37 g/mol
LogP1.85
Rot. Bonds7

About N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide

N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide (PubChem CID 59036371) has the molecular formula C14H28NO4P and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide
PubChem CID59036371
Molecular FormulaC14H28NO4P
Molecular Weight308.37 g/mol
Exact Mass308.19
IUPAC NameN-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide
SMILES[2H]C([3H])OC[C@H]1O[C@@H](COP(C)C)[C@H](NC(C)=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H28NO4P/c1-9-10(2)14(15-11(3)16)13(8-18-20(5)6)19-12(9)7-17-4/h9-10,12-14H,7-8H2,1-6H3,(H,15,16)/t9-,10-,12+,13-,14+/m0/s1/i4TD/t4?,9-,10-,12+,13-,14+
InChIKeyNDZWOODOKSKSAR-RZSJRTRLSA-N
XLogP1.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane
CID 59036346
(2S,3R,4R,5S,6S)-2-(azidomethyl)-6-[[deuterio(tritio)methoxy]methyl]-3,4,5-trimethyloxane
CID 59036365
[(2R,4R,5R)-5-acetamido-3-acetyloxy-4-methyl-6-(2-oxoethoxymethyl)oxan-2-yl]methyl acetate
CID 163977014
N-[(4S,5S,6S)-2-(2-cyanoethoxyphosphanyloxymethyl)-6-(hydroxymethyl)-4,5-dimethyloxan-3-yl]acetamide;nickel(2+);propane
CID 59949810
(3R,4S,6R)-6-[[(2R,4R,5S)-3-acetamido-2,6-bis(hydroxymethyl)-5-methyloxan-4-yl]methoxymethyl]-3-(hydroxymethyl)-4,5-dimethyloxane-2-carboxylic acid
CID 154621071
ethyl (2R,3R,4S,5S,6S)-3-acetamido-6-(hydroxymethyl)-4,5-dimethyloxane-2-carboxylate
CID 59036447
(2R,3R,4S,5S,6S)-3-acetamido-6-(aminomethyl)-N,4,5-trimethyloxane-2-carboxamide;methanethiol
CID 91407841
[(6S)-5-acetamido-3-acetyloxy-4,6-dimethyloxan-2-yl]methyl acetate;ethane
CID 160503920
[(3S,4S)-6-acetyloxy-3,4-dimethyl-5-(propanoylamino)oxan-2-yl]methyl acetate
CID 159247991
5-acetamido-4-hydroxy-3-methoxy-6-(methoxymethyl)oxane-2-carboxylate
CID 59533637
[(2R,3S,4R,5R)-5-acetamido-3,4-bis[(2-deuterioacetyl)oxy]-6-hydroxyoxan-2-yl]methyl 2-deuterioacetate
CID 141003252
[(2R,3S,4R,5R)-3,4-diacetyloxy-5-[(2-deuterioacetyl)amino]-6-hydroxyoxan-2-yl]methyl acetate
CID 141132930

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide (CID 59036371) is N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide is [2H]C([3H])OC[C@H]1O[C@@H](COP(C)C)[C@H](NC(C)=O)[C@@H](C)[C@@H]1C.
What is the InChIKey of N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide?
The InChIKey is NDZWOODOKSKSAR-RZSJRTRLSA-N. The full InChI is InChI=1S/C14H28NO4P/c1-9-10(2)14(15-11(3)16)13(8-18-20(5)6)19-12(9)7-17-4/h9-10,12-14H,7-8H2,1-6H3,(H,15,16)/t9-,10-,12+,13-,14+/m0/s1/i4TD/t4?,9-,10-,12+,13-,14+.
What are the key properties of N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide?
N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide has a molecular weight of 308.37 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide is sourced from PubChem (CID 59036371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).