[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

C166H199NO62 — CID 172642789

About [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

[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 (PubChem CID 172642789) has the molecular formula C166H199NO62 and a molecular weight of 3200.36 g/mol. Its IUPAC name is [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.

Molecular Properties

• Compound Name: [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
• PubChem CID: 172642789
• Molecular Formula: C166H199NO62
• Molecular Weight: 3200.36 g/mol
• Exact Mass: 3198.24
• IUPAC Name: [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
• SMILES: COc1ccc(OC2OC(COC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(OC3OC(COCc4ccccc4)C(OC4OC(COC5OC(COC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6C)C(OC(C)=O)C(OC(C)=O)C5OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5C)C(O)C(OC5OC(COCc6ccccc6)C(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6C)C(OCc6ccccc6)C5OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5C)C4OC(C)=O)C(OCc4ccccc4)C3C)C(OCc3ccccc3)C2N2C(=O)c3ccccc3C2=O)cc1
• InChI: InChI=1S/C166H199NO62/c1-88-132(193-73-111-53-35-25-36-54-111)138(122(79-187-71-109-49-31-23-32-50-109)217-158(88)224-143-128(87-201-163-151(198-78-116-63-45-30-46-64-116)148(196-76-114-59-41-28-42-60-114)137(93(6)202-163)194-74-112-55-37-26-38-56-112)221-162(214-118-69-67-117(186-22)68-70-118)130(146(143)195-75-113-57-39-27-40-58-113)167-155(184)119-65-47-48-66-120(119)156(167)185)226-165-152(213-108(21)182)147(131(183)121(215-165)81-200-164-154(229-161-92(5)136(206-101(14)175)142(210-105(18)179)127(220-161)85-192-97(10)171)150(212-107(20)181)145(211-106(19)180)129(222-164)86-199-157-89(2)133(203-98(11)172)139(207-102(15)176)124(216-157)82-189-94(7)168)227-166-153(228-160-91(4)135(205-100(13)174)141(209-104(17)178)126(219-160)84-191-96(9)170)149(197-77-115-61-43-29-44-62-115)144(123(223-166)80-188-72-110-51-33-24-34-52-110)225-159-90(3)134(204-99(12)173)140(208-103(16)177)125(218-159)83-190-95(8)169/h23-70,88-93,121-154,157-166,183H,71-87H2,1-22H3
• InChIKey: XRJPSFSAFOWHPH-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 719.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 62
• Rotatable Bonds: 70
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3200.36
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [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?

The IUPAC name of [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) is [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.

What is the SMILES notation for [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?

The canonical SMILES for [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 is COc1ccc(OC2OC(COC3OC(C)C(OCc4ccccc4)C(OCc4ccccc4)C3OCc3ccccc3)C(OC3OC(COCc4ccccc4)C(OC4OC(COC5OC(COC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6C)C(OC(C)=O)C(OC(C)=O)C5OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5C)C(O)C(OC5OC(COCc6ccccc6)C(OC6OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C6C)C(OCc6ccccc6)C5OC5OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C5C)C4OC(C)=O)C(OCc4ccccc4)C3C)C(OCc3ccccc3)C2N2C(=O)c3ccccc3C2=O)cc1.

What is the InChIKey of [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?

The InChIKey is XRJPSFSAFOWHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C166H199NO62/c1-88-132(193-73-111-53-35-25-36-54-111)138(122(79-187-71-109-49-31-23-32-50-109)217-158(88)224-143-128(87-201-163-151(198-78-116-63-45-30-46-64-116)148(196-76-114-59-41-28-42-60-114)137(93(6)202-163)194-74-112-55-37-26-38-56-112)221-162(214-118-69-67-117(186-22)68-70-118)130(146(143)195-75-113-57-39-27-40-58-113)167-155(184)119-65-47-48-66-120(119)156(167)185)226-165-152(213-108(21)182)147(131(183)121(215-165)81-200-164-154(229-161-92(5)136(206-101(14)175)142(210-105(18)179)127(220-161)85-192-97(10)171)150(212-107(20)181)145(211-106(19)180)129(222-164)86-199-157-89(2)133(203-98(11)172)139(207-102(15)176)124(216-157)82-189-94(7)168)227-166-153(228-160-91(4)135(205-100(13)174)141(209-104(17)178)126(219-160)84-191-96(9)170)149(197-77-115-61-43-29-44-62-115)144(123(223-166)80-188-72-110-51-33-24-34-52-110)225-159-90(3)134(204-99(12)173)140(208-103(16)177)125(218-159)83-190-95(8)169/h23-70,88-93,121-154,157-166,183H,71-87H2,1-22H3.

What are the key properties of [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?

[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 has a molecular weight of 3200.36 g/mol, XLogP of 14.36, 70 rotatable bonds, 1 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for [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 is sourced from PubChem (CID 172642789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).