[8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate

C161H160N4O48 — CID 172642785

IUPAC[8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate
SMILESCOc1ccc(OC2OC(COC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(OC3OC(COCc4ccccc4)C(OC4OC5COC(c6ccccc6)OC5C(OC5OC(COCc6ccccc6)C(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6N6C(=O)c7ccccc7C6=O)C(OCc6ccccc6)C5OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5N5C(=O)c6ccccc6C5=O)C4OC(=O)CCC(C)=O)C(OCc4ccccc4)C3N3C(=O)c4ccccc4C3=O)C(OCc3ccccc3)C2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C161H160N4O48/c1-91(166)71-76-124(173)207-145-142(212-160-144(213-158-128(165-152(180)116-69-43-44-70-117(116)153(165)181)139(199-98(8)172)133(197-96(6)170)121(204-158)88-186-94(4)168)141(191-83-105-57-31-16-32-58-105)134(119(205-160)86-184-78-100-47-21-11-22-48-100)210-157-127(164-150(178)114-67-41-42-68-115(114)151(164)179)138(198-97(7)171)132(196-95(5)169)120(203-157)87-185-93(3)167)135-123(89-193-154(208-135)107-61-35-18-36-62-107)206-161(145)211-130-118(85-183-77-99-45-19-10-20-46-99)201-156(126(137(130)189-81-103-53-27-14-28-54-103)163-148(176)112-65-39-40-66-113(112)149(163)177)209-131-122(90-194-159-143(192-84-106-59-33-17-34-60-106)140(190-82-104-55-29-15-30-56-104)129(92(2)195-159)187-79-101-49-23-12-24-50-101)202-155(200-109-74-72-108(182-9)73-75-109)125(136(131)188-80-102-51-25-13-26-52-102)162-146(174)110-63-37-38-64-111(110)147(162)175/h10-70,72-75,92,118-123,125-145,154-161H,71,76-90H2,1-9H3
InChIKeyVICGHCRNTCGBJJ-UHFFFAOYSA-N
MW2919.03 g/mol
LogP16.96
Rot. Bonds59

About [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate

[8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate (PubChem CID 172642785) has the molecular formula C161H160N4O48 and a molecular weight of 2919.03 g/mol. Its IUPAC name is [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate.

Molecular Properties

Compound Name[8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate
PubChem CID172642785
Molecular FormulaC161H160N4O48
Molecular Weight2919.03 g/mol
Exact Mass2917.02
IUPAC Name[8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate
SMILESCOc1ccc(OC2OC(COC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(OC3OC(COCc4ccccc4)C(OC4OC5COC(c6ccccc6)OC5C(OC5OC(COCc6ccccc6)C(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6N6C(=O)c7ccccc7C6=O)C(OCc6ccccc6)C5OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5N5C(=O)c6ccccc6C5=O)C4OC(=O)CCC(C)=O)C(OCc4ccccc4)C3N3C(=O)c4ccccc4C3=O)C(OCc3ccccc3)C2N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C161H160N4O48/c1-91(166)71-76-124(173)207-145-142(212-160-144(213-158-128(165-152(180)116-69-43-44-70-117(116)153(165)181)139(199-98(8)172)133(197-96(6)170)121(204-158)88-186-94(4)168)141(191-83-105-57-31-16-32-58-105)134(119(205-160)86-184-78-100-47-21-11-22-48-100)210-157-127(164-150(178)114-67-41-42-68-115(114)151(164)179)138(198-97(7)171)132(196-95(5)169)120(203-157)87-185-93(3)167)135-123(89-193-154(208-135)107-61-35-18-36-62-107)206-161(145)211-130-118(85-183-77-99-45-19-10-20-46-99)201-156(126(137(130)189-81-103-53-27-14-28-54-103)163-148(176)112-65-39-40-66-113(112)149(163)177)209-131-122(90-194-159-143(192-84-106-59-33-17-34-60-106)140(190-82-104-55-29-15-30-56-104)129(92(2)195-159)187-79-101-49-23-12-24-50-101)202-155(200-109-74-72-108(182-9)73-75-109)125(136(131)188-80-102-51-25-13-26-52-102)162-146(174)110-63-37-38-64-111(110)147(162)175/h10-70,72-75,92,118-123,125-145,154-161H,71,76-90H2,1-9H3
InChIKeyVICGHCRNTCGBJJ-UHFFFAOYSA-N
XLogP16.96
TPSA581.44 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds59
Heavy Atoms213
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.03
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate with MolForge

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Related Compounds

[6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate
CID 172642781
[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8S,8aS)-7,8-diacetyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 102396029
[3,4-diacetyloxy-6-[[3,4-diacetyloxy-6-[[5-acetyloxy-4-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-5-methyl-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-hydroxyoxan-2-yl]methoxy]-5-[4,5-diacetyloxy-6-(acetyloxymethyl)-3-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-5-methyloxan-2-yl]methyl acetate
CID 172642789
[(2R,3S,4S,5R,6R)-6-[[(2R,4aR,6S,7R,8R,8aS)-7-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-2-phenyl-6-[(2R,3R,4S,5R,6R)-4,5,6-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 10630184
[5-acetyloxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3-phenylmethoxy-4-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 172642764
[(2R,3S,4R,5R,6R)-6-[[(4aR,6S,7R,8R,8aS)-7-acetamido-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate
CID 102381876
[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl] acetate
CID 14524054
2-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7S,8R,8aR)-7-hydroxy-8-(naphthalen-2-ylmethoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione
CID 170160562
[(4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R,6R)-6-[2-(2-azidoethoxy)ethoxy]-5-(1,3-dioxoisoindol-2-yl)-4-[(2S,3S,4R,5R,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 100922794
2-[(2R,3R,4R,5S,6R)-5-[[(1S,2R,6R,7S,9R)-5-benzyl-4-oxo-12-phenyl-3,8,11,13-tetraoxa-5-azatricyclo[7.4.0.02,6]tridecan-7-yl]oxy]-2-(4-methoxyphenoxy)-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione
CID 102320935
[(2R,3S,4S,5R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(2S,4aR,6S,7R,8S,8aS)-7-acetyloxy-6-[(2R,3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,4,5-triacetyloxyoxan-2-yl]methyl acetate
CID 10606551
[(3aR,4R,6R,7S,7aR)-7-acetyloxy-3-benzyl-4-[(2R,3S,4R,5R,6S)-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-oxo-4,6,7,7a-tetrahydro-3aH-pyrano[3,4-d][1,3]oxazol-6-yl]methyl acetate
CID 53341852

Frequently Asked Questions

What is the IUPAC name of [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate?
The IUPAC name of [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate (CID 172642785) is [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate.
What is the SMILES notation for [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate?
The canonical SMILES for [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate is COc1ccc(OC2OC(COC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(OC3OC(COCc4ccccc4)C(OC4OC5COC(c6ccccc6)OC5C(OC5OC(COCc6ccccc6)C(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6N6C(=O)c7ccccc7C6=O)C(OCc6ccccc6)C5OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5N5C(=O)c6ccccc6C5=O)C4OC(=O)CCC(C)=O)C(OCc4ccccc4)C3N3C(=O)c4ccccc4C3=O)C(OCc3ccccc3)C2N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate?
The InChIKey is VICGHCRNTCGBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C161H160N4O48/c1-91(166)71-76-124(173)207-145-142(212-160-144(213-158-128(165-152(180)116-69-43-44-70-117(116)153(165)181)139(199-98(8)172)133(197-96(6)170)121(204-158)88-186-94(4)168)141(191-83-105-57-31-16-32-58-105)134(119(205-160)86-184-78-100-47-21-11-22-48-100)210-157-127(164-150(178)114-67-41-42-68-115(114)151(164)179)138(198-97(7)171)132(196-95(5)169)120(203-157)87-185-93(3)167)135-123(89-193-154(208-135)107-61-35-18-36-62-107)206-161(145)211-130-118(85-183-77-99-45-19-10-20-46-99)201-156(126(137(130)189-81-103-53-27-14-28-54-103)163-148(176)112-65-39-40-66-113(112)149(163)177)209-131-122(90-194-159-143(192-84-106-59-33-17-34-60-106)140(190-82-104-55-29-15-30-56-104)129(92(2)195-159)187-79-101-49-23-12-24-50-101)202-155(200-109-74-72-108(182-9)73-75-109)125(136(131)188-80-102-51-25-13-26-52-102)162-146(174)110-63-37-38-64-111(110)147(162)175/h10-70,72-75,92,118-123,125-145,154-161H,71,76-90H2,1-9H3.
What are the key properties of [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate?
[8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate has a molecular weight of 2919.03 g/mol, XLogP of 16.96, 59 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[3,5-bis[[4,5-diacetyloxy-6-(acetyloxymethyl)-3-(1,3-dioxoisoindol-2-yl)oxan-2-yl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-[5-(1,3-dioxoisoindol-2-yl)-6-[5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)-2-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxymethyl]-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] 4-oxopentanoate is sourced from PubChem (CID 172642785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).