N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide

C14H25NO5 — CID 134836320

IUPACN-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide
SMILES[3H][C@H]1C[C@H](CNC(=O)C[C@H]2O[C@@H]([3H])C[C@@H]2OC)[C@@H](COC)O1
InChIInChI=1S/C14H25NO5/c1-17-9-13-10(3-5-20-13)8-15-14(16)7-12-11(18-2)4-6-19-12/h10-13H,3-9H2,1-2H3,(H,15,16)/t10-,11+,12-,13-/m1/s1/i5T,6T/t5-,6-,10+,11-,12+,13+/m0
InChIKeyFZYVIXXWHPOOLG-KERHXUHSSA-N
MW291.37 g/mol
LogP0.35
Rot. Bonds7

About N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide

N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide (PubChem CID 134836320) has the molecular formula C14H25NO5 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide
PubChem CID134836320
Molecular FormulaC14H25NO5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC NameN-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide
SMILES[3H][C@H]1C[C@H](CNC(=O)C[C@H]2O[C@@H]([3H])C[C@@H]2OC)[C@@H](COC)O1
InChIInChI=1S/C14H25NO5/c1-17-9-13-10(3-5-20-13)8-15-14(16)7-12-11(18-2)4-6-19-12/h10-13H,3-9H2,1-2H3,(H,15,16)/t10-,11+,12-,13-/m1/s1/i5T,6T/t5-,6-,10+,11-,12+,13+/m0
InChIKeyFZYVIXXWHPOOLG-KERHXUHSSA-N
XLogP0.35
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide with MolForge

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Related Compounds

hydroxy-[2-[(2R)-3-methoxy-5-tritiooxolan-2-yl]ethyl]-methyl-sulfanylidene-λ5-phosphane
CID 58974553
6-(methoxyamino)-N-[2-(methoxymethyl)-5-tritiooxolan-3-yl]hexanamide
CID 59985910
(2R)-3-methoxy-2-(methoxymethyl)oxane
CID 169023835
[(2S,3R,5S)-2-(iodomethyl)-5-tritiooxolan-3-yl] acetate
CID 89019297
methyl (2S,5S)-2-(hydroxymethyl)-5-tritiooxolane-3-carboxylate
CID 89172430
N-[(2-methoxycyclopentyl)methyl]acetamide
CID 130918496
N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide
CID 20614405
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol
CID 59063136
N-(cyclopropylmethyl)-2-[(2-ethyloxolan-3-yl)methylamino]acetamide
CID 114105561
[(2R,4R,5R)-4-methoxy-5-(methoxymethyl)oxolan-2-yl]urea
CID 59059665
[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate
CID 88935779
(2R,3R,4S,5S)-4,5-dimethoxy-2-(methoxymethyl)oxan-3-ol
CID 10943643

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide?
The IUPAC name of N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide (CID 134836320) is N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide.
What is the SMILES notation for N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide?
The canonical SMILES for N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide is [3H][C@H]1C[C@H](CNC(=O)C[C@H]2O[C@@H]([3H])C[C@@H]2OC)[C@@H](COC)O1.
What is the InChIKey of N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide?
The InChIKey is FZYVIXXWHPOOLG-KERHXUHSSA-N. The full InChI is InChI=1S/C14H25NO5/c1-17-9-13-10(3-5-20-13)8-15-14(16)7-12-11(18-2)4-6-19-12/h10-13H,3-9H2,1-2H3,(H,15,16)/t10-,11+,12-,13-/m1/s1/i5T,6T/t5-,6-,10+,11-,12+,13+/m0.
What are the key properties of N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide?
N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide has a molecular weight of 291.37 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R,5S)-2-(methoxymethyl)-5-tritiooxolan-3-yl]methyl]-2-[(2R,3S,5S)-3-methoxy-5-tritiooxolan-2-yl]acetamide is sourced from PubChem (CID 134836320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).