(3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane

C10H19NO4 — CID 59036331

IUPAC(3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane
SMILES[2H]C([3H])OC1O[C@@H](C[N+](=O)[O-])[C@H](C)[C@@H](C)[C@H]1C
InChIInChI=1S/C10H19NO4/c1-6-7(2)9(5-11(12)13)15-10(14-4)8(6)3/h6-10H,5H2,1-4H3/t6-,7-,8-,9+,10?/m1/s1/i4TD/t4?,6-,7-,8-,9+,10?
InChIKeyTYDSLMYDYXBZPN-YEFWMDCMSA-N
MW220.28 g/mol
LogP1.54
Rot. Bonds4

About (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane

(3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane (PubChem CID 59036331) has the molecular formula C10H19NO4 and a molecular weight of 220.28 g/mol. Its IUPAC name is (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane.

Molecular Properties

Compound Name(3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane
PubChem CID59036331
Molecular FormulaC10H19NO4
Molecular Weight220.28 g/mol
Exact Mass220.15
IUPAC Name(3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane
SMILES[2H]C([3H])OC1O[C@@H](C[N+](=O)[O-])[C@H](C)[C@@H](C)[C@H]1C
InChIInChI=1S/C10H19NO4/c1-6-7(2)9(5-11(12)13)15-10(14-4)8(6)3/h6-10H,5H2,1-4H3/t6-,7-,8-,9+,10?/m1/s1/i4TD/t4?,6-,7-,8-,9+,10?
InChIKeyTYDSLMYDYXBZPN-YEFWMDCMSA-N
XLogP1.54
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane with MolForge

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Related Compounds

[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol
CID 59036539
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
CID 58241382
(3S,4R,5R,6S)-2-[[deuterio(tritio)methoxy]methyl]-6-ethyl-3,4,5-trimethyloxane
CID 59036346
[5-(hydroxymethyl)-3,4-dimethyloxolan-2-yl]methanol;bis(nitric acid)
CID 88696106
(2S,3R,4R,5S,6S)-2-(azidomethyl)-6-[[deuterio(tritio)methoxy]methyl]-3,4,5-trimethyloxane
CID 59036365
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315
(2R,4R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 58794899
(3R,5R,6R)-2-(aminomethyl)-6-methoxy-4,5-dimethyloxan-3-ol
CID 54071256
2-(2,2-dimethylpropyl)-3,4,5-trimethyl-6-[(2-methylpropan-2-yl)oxy]oxane
CID 121263512
(2S,4S,5S)-2-methoxy-3,4,5-trimethyl-6-[[(2S,5R)-4,5,6-trimethyloxan-2-yl]oxymethyl]oxane
CID 126608883
[(2R,3S,4S,5R)-5-azido-2-ethyl-3-methyl-6-nitrooxyoxan-4-yl] acetate
CID 174153753
1-[(3R,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-N-methylmethanamine
CID 118460692

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane?
The IUPAC name of (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane (CID 59036331) is (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane.
What is the SMILES notation for (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane?
The canonical SMILES for (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane is [2H]C([3H])OC1O[C@@H](C[N+](=O)[O-])[C@H](C)[C@@H](C)[C@H]1C.
What is the InChIKey of (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane?
The InChIKey is TYDSLMYDYXBZPN-YEFWMDCMSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-7(2)9(5-11(12)13)15-10(14-4)8(6)3/h6-10H,5H2,1-4H3/t6-,7-,8-,9+,10?/m1/s1/i4TD/t4?,6-,7-,8-,9+,10?.
What are the key properties of (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane?
(3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane has a molecular weight of 220.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane is sourced from PubChem (CID 59036331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).