N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

C43H49NO11 — CID 72832454

IUPACN-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCOC1OC(COC2OC3COC(c4ccccc4)OC3C(O)C2NC(C)=O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C43H49NO11/c1-28(45)44-35-36(46)37-33(26-51-41(55-37)32-21-13-6-14-22-32)53-42(35)52-27-34-38(48-23-29-15-7-3-8-16-29)39(49-24-30-17-9-4-10-18-30)40(43(47-2)54-34)50-25-31-19-11-5-12-20-31/h3-22,33-43,46H,23-27H2,1-2H3,(H,44,45)
InChIKeyNAODVYQJJYFASV-UHFFFAOYSA-N
MW755.86 g/mol
LogP4.84
Rot. Bonds15

About N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide

N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (PubChem CID 72832454) has the molecular formula C43H49NO11 and a molecular weight of 755.86 g/mol. Its IUPAC name is N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.

Molecular Properties

Compound NameN-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
PubChem CID72832454
Molecular FormulaC43H49NO11
Molecular Weight755.86 g/mol
Exact Mass755.33
IUPAC NameN-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
SMILESCOC1OC(COC2OC3COC(c4ccccc4)OC3C(O)C2NC(C)=O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C43H49NO11/c1-28(45)44-35-36(46)37-33(26-51-41(55-37)32-21-13-6-14-22-32)53-42(35)52-27-34-38(48-23-29-15-7-3-8-16-29)39(49-24-30-17-9-4-10-18-30)40(43(47-2)54-34)50-25-31-19-11-5-12-20-31/h3-22,33-43,46H,23-27H2,1-2H3,(H,44,45)
InChIKeyNAODVYQJJYFASV-UHFFFAOYSA-N
XLogP4.84
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.86
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide 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

Benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
CID 2801971
Benzyl 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranoside
CID 5288344
benzyl N-acetyl-alpha-D-galactosaminide
CID 122253
Acetic acid 3-acetoxy-2-acetoxymethyl-5-acetylamino-6-benzyloxy-tetrahydro-pyran-4-yl ester
CID 538461
4-amino-N-((2R,3R,4R,5S,6R)-5-hydroxy-6-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-2-phenethoxytetrahydro-2H-pyran-3-yl)butanamide
CID 45102042
3-amino-N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(methoxymethyl)-2,4-bis(naphthalen-2-ylmethoxy)oxan-3-yl]propanamide
CID 46902023
4-amino-N-((2S,3R,4S,5S,6R)-5-hydroxy-6-(methoxymethyl)-4-(naphthalen-2-ylmethoxy)-2-phenethoxytetrahydro-2H-pyran-3-yl)butanamide
CID 52941607
alpha-Normuramic acid, N-acetyl-1-O-(phenylmethyl)-4,6-O-(phenylmethylene)-(9CI)
CID 3123213
Benzyl N-acetylglucosamine
CID 561184
Benzyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside
CID 7067537
Methyl-6-o-acetyl-3-o-phenylmethyl-2-[[(phenylmethoxy)carbonyl]amino]-2-deoxy-4-o-(2-o-acetyl-3-o-phenylmethyl-6-methyl-alpha-l-idop
CID 11828815
2-Acetamido-4,6-o-benzylidene-2-deoxy-D-glucopyranose
CID 15612534

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The IUPAC name of N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide (CID 72832454) is N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide.
What is the SMILES notation for N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The canonical SMILES for N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is COC1OC(COC2OC3COC(c4ccccc4)OC3C(O)C2NC(C)=O)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
The InChIKey is NAODVYQJJYFASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49NO11/c1-28(45)44-35-36(46)37-33(26-51-41(55-37)32-21-13-6-14-22-32)53-42(35)52-27-34-38(48-23-29-15-7-3-8-16-29)39(49-24-30-17-9-4-10-18-30)40(43(47-2)54-34)50-25-31-19-11-5-12-20-31/h3-22,33-43,46H,23-27H2,1-2H3,(H,44,45).
What are the key properties of N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide?
N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide has a molecular weight of 755.86 g/mol, XLogP of 4.84, 15 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-hydroxy-6-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide is sourced from PubChem (CID 72832454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).