(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane

C16H24O5 — CID 11500331

IUPAC(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
SMILESCO[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OCc1ccccc1
InChIInChI=1S/C16H24O5/c1-11-13(17-2)14(18-3)15(16(19-4)21-11)20-10-12-8-6-5-7-9-12/h5-9,11,13-16H,10H2,1-4H3/t11-,13-,14+,15+,16+/m0/s1
InChIKeyFONUJMMONWWWDJ-RBRCJPGISA-N
MW296.36 g/mol
LogP1.99
Rot. Bonds6

About (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane

(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane (PubChem CID 11500331) has the molecular formula C16H24O5 and a molecular weight of 296.36 g/mol. Its IUPAC name is (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
PubChem CID11500331
Molecular FormulaC16H24O5
Molecular Weight296.36 g/mol
Exact Mass296.16
IUPAC Name(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
SMILESCO[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OCc1ccccc1
InChIInChI=1S/C16H24O5/c1-11-13(17-2)14(18-3)15(16(19-4)21-11)20-10-12-8-6-5-7-9-12/h5-9,11,13-16H,10H2,1-4H3/t11-,13-,14+,15+,16+/m0/s1
InChIKeyFONUJMMONWWWDJ-RBRCJPGISA-N
XLogP1.99
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4R,5S,6S)-3,4-dimethoxy-2-[(2S,3R,4R,5S,6S)-4-methoxy-6-methyl-5-phenylmethoxy-2-[(2S,3S,4R,5R,6R)-4,5,6-trimethoxy-2-methyloxan-3-yl]oxyoxan-3-yl]oxy-6-methyl-5-phenylmethoxyoxane
CID 10259312
(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
(2S,3R,4S,5S,6S)-2-methoxy-6-methyl-4,5-bis(phenylmethoxy)oxan-3-ol
CID 10808327
[(2S,3R,4R,5S,6S)-6-methoxy-2-methyl-4,5-bis(phenylmethoxy)oxan-3-yl] benzoate
CID 10434489
(2R,3R,4R,5S,6S)-3-fluoro-2-methoxy-6-methyl-5-phenylmethoxyoxan-4-ol
CID 14052144
(2R,3R,4S,5R)-5-methoxy-2-methyl-4,6-bis(phenylmethoxy)oxan-3-amine
CID 71313766
6-(4,5-dihydroxy-2-methoxy-6-methyloxan-3-yl)oxy-2-methyl-5-phenylmethoxyoxane-3,4-diol
CID 163040985
(2S,3R,4S,5R,6S)-6-methoxy-2-[(2R,3S)-3-methyloxiran-2-yl]-4,5-bis(phenylmethoxy)oxan-3-ol
CID 14525549
(2R,3R,4S,5R,6R)-2-methoxy-3-[(2R,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 101143250
(3aR,4S,6R,7S,7aR)-6-methoxy-2,2,4-trimethyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 14653888

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane?
The IUPAC name of (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane (CID 11500331) is (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane.
What is the SMILES notation for (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane?
The canonical SMILES for (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane is CO[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane?
The InChIKey is FONUJMMONWWWDJ-RBRCJPGISA-N. The full InChI is InChI=1S/C16H24O5/c1-11-13(17-2)14(18-3)15(16(19-4)21-11)20-10-12-8-6-5-7-9-12/h5-9,11,13-16H,10H2,1-4H3/t11-,13-,14+,15+,16+/m0/s1.
What are the key properties of (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane?
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane has a molecular weight of 296.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane is sourced from PubChem (CID 11500331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).