(2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol

C13H18O4 — CID 53242932

IUPAC(2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol
SMILES[2H][C@@H]1O[C@H](OC)[C@H](OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C13H18O4/c1-15-13-12(7-11(14)9-17-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-,13+/m1/s1/i9D/t9-,11+,12+,13-/m0
InChIKeyWFRRTLPCKLLWBM-QOGXEHITSA-N
MW239.29 g/mol
LogP1.33
Rot. Bonds4

About (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol

(2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol (PubChem CID 53242932) has the molecular formula C13H18O4 and a molecular weight of 239.29 g/mol. Its IUPAC name is (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol
PubChem CID53242932
Molecular FormulaC13H18O4
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol
SMILES[2H][C@@H]1O[C@H](OC)[C@H](OCc2ccccc2)C[C@H]1O
InChIInChI=1S/C13H18O4/c1-15-13-12(7-11(14)9-17-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-,13+/m1/s1/i9D/t9-,11+,12+,13-/m0
InChIKeyWFRRTLPCKLLWBM-QOGXEHITSA-N
XLogP1.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol with MolForge

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Related Compounds

(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(2S,3R,5S,6R)-2-methoxy-6-methyl-3,5-bis(phenylmethoxy)oxane
CID 14133730
(2R,3R)-2-methoxy-3-phenylmethoxyoxane
CID 139918795
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(2S,3S,5S,6R)-5-fluoro-2-methoxy-6-methyl-3-phenylmethoxyoxane
CID 15000119
[(2S,3R,4S,6R)-2-methoxy-6-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 101175724
(1R,2S,3S)-2-methoxy-3-phenylmethoxycyclopentan-1-ol
CID 139810577
(3S,4R,5S,6S,7S)-7-methoxy-4-methyl-5,6-bis(phenylmethoxy)oxepan-3-ol
CID 58510392
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
(1R,2R,3S,4S,5S)-5-[[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10533690

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol?
The IUPAC name of (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol (CID 53242932) is (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol.
What is the SMILES notation for (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol?
The canonical SMILES for (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol is [2H][C@@H]1O[C@H](OC)[C@H](OCc2ccccc2)C[C@H]1O.
What is the InChIKey of (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol?
The InChIKey is WFRRTLPCKLLWBM-QOGXEHITSA-N. The full InChI is InChI=1S/C13H18O4/c1-15-13-12(7-11(14)9-17-13)16-8-10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/t11-,12-,13+/m1/s1/i9D/t9-,11+,12+,13-/m0.
What are the key properties of (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol?
(2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol has a molecular weight of 239.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R,6S)-2-deuterio-6-methoxy-5-phenylmethoxyoxan-3-ol is sourced from PubChem (CID 53242932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).