[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol

C10H20O3 — CID 59036539

IUPAC[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol
SMILES[2H]C([3H])OC1O[C@@H](CO)[C@H](C)[C@@H](C)[C@H]1C
InChIInChI=1S/C10H20O3/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h6-11H,5H2,1-4H3/t6-,7-,8-,9+,10?/m1/s1/i4TD/t4?,6-,7-,8-,9+,10?
InChIKeyQVVRVECFJFSYTN-YEFWMDCMSA-N
MW191.28 g/mol
LogP1.26
Rot. Bonds3

About [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol

[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol (PubChem CID 59036539) has the molecular formula C10H20O3 and a molecular weight of 191.28 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol
PubChem CID59036539
Molecular FormulaC10H20O3
Molecular Weight191.28 g/mol
Exact Mass191.16
IUPAC Name[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol
SMILES[2H]C([3H])OC1O[C@@H](CO)[C@H](C)[C@@H](C)[C@H]1C
InChIInChI=1S/C10H20O3/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h6-11H,5H2,1-4H3/t6-,7-,8-,9+,10?/m1/s1/i4TD/t4?,6-,7-,8-,9+,10?
InChIKeyQVVRVECFJFSYTN-YEFWMDCMSA-N
XLogP1.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R,5R,6R)-2-[deuterio(tritio)methoxy]-3,4,5-trimethyl-6-(nitromethyl)oxane
CID 59036331
[(3R,6R)-5-amino-6-methoxy-3,4-dimethyloxan-2-yl]methanol
CID 59893568
[(3S,4S,6R)-6-[(3S,4R,6R)-2-(hydroxymethyl)-6-[(3S,4R)-2-(hydroxymethyl)-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]methanol
CID 157185741
[(3S,4R,6S)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 157375693
[(2S,3S,4R,5S,6R)-3,4,5,6-tetramethyloxan-2-yl]methanol
CID 163662814
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-methoxy-5-methyloxane-3,4-diol
CID 88976224
(3R,4S,6R)-2-(fluoromethyl)-6-methoxy-3,4,5-trimethyloxane
CID 58241382
[(2S,3S,4R,5R,6S)-3,4,5-trimethyl-6-propan-2-yloxan-2-yl]methanol
CID 59651572
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(2R,3S,4S,5R,6R)-3-deuterio-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 102127943
(3,4,5-trimethyl-6-methylsulfanyloxan-2-yl)methanol
CID 20660413

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol (CID 59036539) is [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol is [2H]C([3H])OC1O[C@@H](CO)[C@H](C)[C@@H](C)[C@H]1C.
What is the InChIKey of [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol?
The InChIKey is QVVRVECFJFSYTN-YEFWMDCMSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-7(2)9(5-11)13-10(12-4)8(6)3/h6-11H,5H2,1-4H3/t6-,7-,8-,9+,10?/m1/s1/i4TD/t4?,6-,7-,8-,9+,10?.
What are the key properties of [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol?
[(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol has a molecular weight of 191.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-6-[deuterio(tritio)methoxy]-3,4,5-trimethyloxan-2-yl]methanol is sourced from PubChem (CID 59036539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).