(2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane

C25H32O5 — CID 11269912

IUPAC(2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane
SMILESCO[C@@H]1O[C@H]([C@@H]2CC[C@H](COCc3ccccc3)O2)[C@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C25H32O5/c1-18-23(28-16-20-11-7-4-8-12-20)24(30-25(18)26-2)22-14-13-21(29-22)17-27-15-19-9-5-3-6-10-19/h3-12,18,21-25H,13-17H2,1-2H3/t18-,21+,22-,23+,24+,25+/m0/s1
InChIKeyBIBDEPKCNGJEHC-ISVIALBYSA-N
MW412.53 g/mol
LogP4.34
Rot. Bonds9

About (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane

(2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane (PubChem CID 11269912) has the molecular formula C25H32O5 and a molecular weight of 412.53 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane
PubChem CID11269912
Molecular FormulaC25H32O5
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name(2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane
SMILESCO[C@@H]1O[C@H]([C@@H]2CC[C@H](COCc3ccccc3)O2)[C@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C25H32O5/c1-18-23(28-16-20-11-7-4-8-12-20)24(30-25(18)26-2)22-14-13-21(29-22)17-27-15-19-9-5-3-6-10-19/h3-12,18,21-25H,13-17H2,1-2H3/t18-,21+,22-,23+,24+,25+/m0/s1
InChIKeyBIBDEPKCNGJEHC-ISVIALBYSA-N
XLogP4.34
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3R,4S,5S,6S)-2-methoxy-3,6-dimethyl-4,5-bis(phenylmethoxy)oxane
CID 101084326
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694
(1R,2R,4S,6R)-2-methoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 10955968
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891
(2S,5R)-2-methoxy-5-phenylmethoxy-4-(phenylmethoxymethyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 134832463
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane
CID 102251588
(2S,3S,6S)-2-methoxy-3-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-one
CID 11302737
(2S,3S,4S,5R,6R)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-[[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxane
CID 101466652
(2S,3R,4R,5S)-3-fluoro-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 118336610

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane?
The IUPAC name of (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane (CID 11269912) is (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane.
What is the SMILES notation for (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane?
The canonical SMILES for (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane is CO[C@@H]1O[C@H]([C@@H]2CC[C@H](COCc3ccccc3)O2)[C@H](OCc2ccccc2)[C@@H]1C.
What is the InChIKey of (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane?
The InChIKey is BIBDEPKCNGJEHC-ISVIALBYSA-N. The full InChI is InChI=1S/C25H32O5/c1-18-23(28-16-20-11-7-4-8-12-20)24(30-25(18)26-2)22-14-13-21(29-22)17-27-15-19-9-5-3-6-10-19/h3-12,18,21-25H,13-17H2,1-2H3/t18-,21+,22-,23+,24+,25+/m0/s1.
What are the key properties of (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane?
(2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane has a molecular weight of 412.53 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-methoxy-3-methyl-4-phenylmethoxy-5-[(2S,5R)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolane is sourced from PubChem (CID 11269912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).