(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol

C20H24O4 — CID 144531993

IUPAC(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
SMILESC[C@H]1OC[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H24O4/c1-15-20(24-13-17-10-6-3-7-11-17)19(21)18(14-22-15)23-12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15-,18-,19-,20-/m1/s1
InChIKeyREFOSHARABRPSA-HUYLIWGRSA-N
MW328.41 g/mol
LogP2.94
Rot. Bonds6

About (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol

(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol (PubChem CID 144531993) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
PubChem CID144531993
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol
SMILESC[C@H]1OC[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C20H24O4/c1-15-20(24-13-17-10-6-3-7-11-17)19(21)18(14-22-15)23-12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15-,18-,19-,20-/m1/s1
InChIKeyREFOSHARABRPSA-HUYLIWGRSA-N
XLogP2.94
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,5S)-5-[hydroxy(phenyl)methoxy]-2-methyl-3-phenylmethoxyoxan-4-ol
CID 59032086
(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-methyl-4-phenylmethoxyoxolan-3-ol
CID 58747870
(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol
CID 126612131
(1R,2S,3S,4R,6R)-2,3,4,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11756568
(1S,2S,3R,4R,6R)-4-methyl-3,6-bis(phenylmethoxy)cyclohexane-1,2-diol
CID 10569320
(2R,3R,4S,5R,6S)-2-methoxy-6-methyl-5-phenylmethoxyoxane-3,4-diol
CID 1284354
(2R,3aR)-4-methyl-2-phenyl-7-phenylmethoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran
CID 134582152

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The IUPAC name of (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol (CID 144531993) is (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol.
What is the SMILES notation for (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The canonical SMILES for (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol is C[C@H]1OC[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
The InChIKey is REFOSHARABRPSA-HUYLIWGRSA-N. The full InChI is InChI=1S/C20H24O4/c1-15-20(24-13-17-10-6-3-7-11-17)19(21)18(14-22-15)23-12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3/t15-,18-,19-,20-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol?
(2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol has a molecular weight of 328.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-methyl-3,5-bis(phenylmethoxy)oxan-4-ol is sourced from PubChem (CID 144531993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).