methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate

C8H14O5 — CID 59098859

IUPACmethyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate
SMILES[2H]C([3H])OCC1OC(C(=O)OC)CC1O
InChIInChI=1S/C8H14O5/c1-11-4-7-5(9)3-6(13-7)8(10)12-2/h5-7,9H,3-4H2,1-2H3/i1TD
InChIKeyUPFKDZORNIQWBD-XIGASBNHSA-N
MW193.21 g/mol
LogP-0.68
Rot. Bonds4

About methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate

methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate (PubChem CID 59098859) has the molecular formula C8H14O5 and a molecular weight of 193.21 g/mol. Its IUPAC name is methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate
PubChem CID59098859
Molecular FormulaC8H14O5
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Namemethyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate
SMILES[2H]C([3H])OCC1OC(C(=O)OC)CC1O
InChIInChI=1S/C8H14O5/c1-11-4-7-5(9)3-6(13-7)8(10)12-2/h5-7,9H,3-4H2,1-2H3/i1TD
InChIKeyUPFKDZORNIQWBD-XIGASBNHSA-N
XLogP-0.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate with MolForge

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Related Compounds

dimethyl (2R,6S)-4-hydroxyoxane-2,6-dicarboxylate
CID 92523864
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
CID 59968610
CID 59968610
methyl (2S)-4-hydroxy-6-iodooxane-2-carboxylate
CID 154537590
dimethyl 2,5-dihydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylate
CID 15040134
N-(2-aminoethyl)-5-ethyl-4-hydroxyoxolane-2-carboxamide
CID 58978831
N-[(2R,3R,4S,5S,6S)-6-[[deuterio(tritio)methoxy]methyl]-2-(dimethylphosphanyloxymethyl)-4,5-dimethyloxan-3-yl]acetamide
CID 59036371
(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane
CID 59036346
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carboxylic acid
CID 101368145
methyl (5R)-4,5-diacetyloxy-6-hydroxyoxane-2-carboxylate
CID 129298889

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate?
The IUPAC name of methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate (CID 59098859) is methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate.
What is the SMILES notation for methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate?
The canonical SMILES for methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate is [2H]C([3H])OCC1OC(C(=O)OC)CC1O.
What is the InChIKey of methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate?
The InChIKey is UPFKDZORNIQWBD-XIGASBNHSA-N. The full InChI is InChI=1S/C8H14O5/c1-11-4-7-5(9)3-6(13-7)8(10)12-2/h5-7,9H,3-4H2,1-2H3/i1TD.
What are the key properties of methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate?
methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate has a molecular weight of 193.21 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[deuterio(tritio)methoxy]methyl]-4-hydroxyoxolane-2-carboxylate is sourced from PubChem (CID 59098859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).