(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol

C30H33NO6 — CID 90169008

IUPAC(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](N3C=CCOC3)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H33NO6/c1-33-25-13-9-23(10-14-25)30(22-7-4-3-5-8-22,24-11-15-26(34-2)16-12-24)36-20-28-27(32)19-29(37-28)31-17-6-18-35-21-31/h3-17,27-29,32H,18-21H2,1-2H3/t27-,28-,29-/m1/s1
InChIKeyPJGDOXFWPYJOHL-MPFGFTFXSA-N
MW503.60 g/mol
LogP4.29
Rot. Bonds9

About (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol

(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol (PubChem CID 90169008) has the molecular formula C30H33NO6 and a molecular weight of 503.60 g/mol. Its IUPAC name is (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol
PubChem CID90169008
Molecular FormulaC30H33NO6
Molecular Weight503.60 g/mol
Exact Mass503.23
IUPAC Name(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol
SMILESCOc1ccc(C(OC[C@H]2O[C@@H](N3C=CCOC3)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C30H33NO6/c1-33-25-13-9-23(10-14-25)30(22-7-4-3-5-8-22,24-11-15-26(34-2)16-12-24)36-20-28-27(32)19-29(37-28)31-17-6-18-35-21-31/h3-17,27-29,32H,18-21H2,1-2H3/t27-,28-,29-/m1/s1
InChIKeyPJGDOXFWPYJOHL-MPFGFTFXSA-N
XLogP4.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(4-iodoimidazol-1-yl)oxolan-3-ol
CID 24773384
CID 89240141
CID 89240141
1-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 172642391
1-[(2R,4R,5S)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 7072407
(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-pyridin-2-yloxolan-3-ol
CID 46919604
(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,3,7,8-tetrahydropurin-9-yl)oxolan-3-ol
CID 169087815
1-[[(2S,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10745415
4-(2-aminoethylamino)-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 13008480
4-(2-aminoethylamino)-1-[(2R,4S,5R)-4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidin-2-one
CID 11753081
(2S,3R,5S)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol
CID 124929697
7-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-1H-pyrrolo[2,3-d]pyrimidine-2,4-dione
CID 71433804
1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-(dimethylamino)pyrimidine-2,4-dione
CID 57332429

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol?
The IUPAC name of (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol (CID 90169008) is (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol is COc1ccc(C(OC[C@H]2O[C@@H](N3C=CCOC3)C[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol?
The InChIKey is PJGDOXFWPYJOHL-MPFGFTFXSA-N. The full InChI is InChI=1S/C30H33NO6/c1-33-25-13-9-23(10-14-25)30(22-7-4-3-5-8-22,24-11-15-26(34-2)16-12-24)36-20-28-27(32)19-29(37-28)31-17-6-18-35-21-31/h3-17,27-29,32H,18-21H2,1-2H3/t27-,28-,29-/m1/s1.
What are the key properties of (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol?
(2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol has a molecular weight of 503.60 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,6-dihydro-1,3-oxazin-3-yl)oxolan-3-ol is sourced from PubChem (CID 90169008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).