(2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane

C23H38O8 — CID 102018264

IUPAC(2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane
SMILESCOC(CO[C@@H]1O[C@H](COCC(C)C)[C@@H](OC)[C@H](OC)[C@@H]1OCc1ccccc1)OC
InChIInChI=1S/C23H38O8/c1-16(2)12-28-14-18-20(26-5)21(27-6)22(29-13-17-10-8-7-9-11-17)23(31-18)30-15-19(24-3)25-4/h7-11,16,18-23H,12-15H2,1-6H3/t18-,20-,21+,22+,23-/m1/s1
InChIKeyDAIJHGGHKGOKKH-LFDQFFAPSA-N
MW442.55 g/mol
LogP2.63
Rot. Bonds14

About (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane

(2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane (PubChem CID 102018264) has the molecular formula C23H38O8 and a molecular weight of 442.55 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane
PubChem CID102018264
Molecular FormulaC23H38O8
Molecular Weight442.55 g/mol
Exact Mass442.26
IUPAC Name(2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane
SMILESCOC(CO[C@@H]1O[C@H](COCC(C)C)[C@@H](OC)[C@H](OC)[C@@H]1OCc1ccccc1)OC
InChIInChI=1S/C23H38O8/c1-16(2)12-28-14-18-20(26-5)21(27-6)22(29-13-17-10-8-7-9-11-17)23(31-18)30-15-19(24-3)25-4/h7-11,16,18-23H,12-15H2,1-6H3/t18-,20-,21+,22+,23-/m1/s1
InChIKeyDAIJHGGHKGOKKH-LFDQFFAPSA-N
XLogP2.63
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
(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,4S,5R,6R)-2-[[(2R,3R,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methoxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 100914116
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
1,3-bis[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy]propan-2-ol
CID 59819467
(2S,3S,4S,5R,6R)-2,3,4,5-tetrakis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66864680
3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-propan-2-yloxyoxolane
CID 14702693
(2S,4R,5R,6R)-2-(2,2-dimethoxyethoxy)-3-methylidene-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 102479657
(2R,3R,4S,5R,6S)-2-(chloromethoxymethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 54470697
(3R,6R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)-6-propan-2-yloxyoxane
CID 146165602

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane (CID 102018264) is (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane is COC(CO[C@@H]1O[C@H](COCC(C)C)[C@@H](OC)[C@H](OC)[C@@H]1OCc1ccccc1)OC.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane?
The InChIKey is DAIJHGGHKGOKKH-LFDQFFAPSA-N. The full InChI is InChI=1S/C23H38O8/c1-16(2)12-28-14-18-20(26-5)21(27-6)22(29-13-17-10-8-7-9-11-17)23(31-18)30-15-19(24-3)25-4/h7-11,16,18-23H,12-15H2,1-6H3/t18-,20-,21+,22+,23-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane?
(2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane has a molecular weight of 442.55 g/mol, XLogP of 2.63, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(2,2-dimethoxyethoxy)-4,5-dimethoxy-6-(2-methylpropoxymethyl)-3-phenylmethoxyoxane is sourced from PubChem (CID 102018264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).