[3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate

C201H202F3NO41 — CID 177487740

About [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate

[3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate (PubChem CID 177487740) has the molecular formula C201H202F3NO41 and a molecular weight of 3344.79 g/mol. Its IUPAC name is [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate.

Molecular Properties

• Compound Name: [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate
• PubChem CID: 177487740
• Molecular Formula: C201H202F3NO41
• Molecular Weight: 3344.79 g/mol
• Exact Mass: 3342.37
• IUPAC Name: [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate
• SMILES: O=C(OCC1OC(OC2C(OC3C(OCc4ccccc4)C(COCc4ccccc4)OC(OC4C(OC5C(OCc6ccccc6)C(COCc6ccccc6)OC(OC6C(OC7C(OCCCNC(=O)C(F)(F)F)OC(COCc8ccccc8)C(OCc8ccccc8)C7OCc7ccccc7)OC(COCc7ccccc7)C(OCc7ccccc7)C6OCc6ccccc6)C5OC(=O)c5ccccc5)OC(COCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)C3OC(=O)c3ccccc3)OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C201H202F3NO41/c202-201(203,204)200(210)205-112-67-113-217-193-183(175(224-126-151-92-47-13-48-93-151)168(218-120-145-80-35-7-36-81-145)161(231-193)132-211-114-139-68-23-1-24-69-139)243-197-186(178(227-129-154-98-53-16-54-99-154)171(221-123-148-86-41-10-42-87-148)164(234-197)135-214-117-142-74-29-4-30-75-142)246-199-188(240-192(209)160-110-65-22-66-111-160)181(173(223-125-150-90-45-12-46-91-150)166(236-199)137-216-119-144-78-33-6-34-79-144)242-196-185(177(226-128-153-96-51-15-52-97-153)170(220-122-147-84-39-9-40-85-147)163(233-196)134-213-116-141-72-27-3-28-73-141)245-198-187(239-191(208)159-108-63-21-64-109-159)180(172(222-124-149-88-43-11-44-89-149)165(235-198)136-215-118-143-76-31-5-32-77-143)241-195-184(176(225-127-152-94-49-14-50-95-152)169(219-121-146-82-37-8-38-83-146)162(232-195)133-212-115-140-70-25-2-26-71-140)244-194-182(229-131-156-102-57-18-58-103-156)179(228-130-155-100-55-17-56-101-155)174(238-190(207)158-106-61-20-62-107-158)167(237-194)138-230-189(206)157-104-59-19-60-105-157/h1-66,68-111,161-188,193-199H,67,112-138H2,(H,205,210)
• InChIKey: IBHVFASULLSJFV-UHFFFAOYSA-N
• XLogP: 32.32
• TPSA: 429.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 41
• Rotatable Bonds: 86
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3344.79
LogP ≤ 5	32.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate?

The IUPAC name of [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate (CID 177487740) is [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate.

What is the SMILES notation for [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate?

The canonical SMILES for [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate is O=C(OCC1OC(OC2C(OC3C(OCc4ccccc4)C(COCc4ccccc4)OC(OC4C(OC5C(OCc6ccccc6)C(COCc6ccccc6)OC(OC6C(OC7C(OCCCNC(=O)C(F)(F)F)OC(COCc8ccccc8)C(OCc8ccccc8)C7OCc7ccccc7)OC(COCc7ccccc7)C(OCc7ccccc7)C6OCc6ccccc6)C5OC(=O)c5ccccc5)OC(COCc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)C3OC(=O)c3ccccc3)OC(COCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1.

What is the InChIKey of [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate?

The InChIKey is IBHVFASULLSJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C201H202F3NO41/c202-201(203,204)200(210)205-112-67-113-217-193-183(175(224-126-151-92-47-13-48-93-151)168(218-120-145-80-35-7-36-81-145)161(231-193)132-211-114-139-68-23-1-24-69-139)243-197-186(178(227-129-154-98-53-16-54-99-154)171(221-123-148-86-41-10-42-87-148)164(234-197)135-214-117-142-74-29-4-30-75-142)246-199-188(240-192(209)160-110-65-22-66-111-160)181(173(223-125-150-90-45-12-46-91-150)166(236-199)137-216-119-144-78-33-6-34-79-144)242-196-185(177(226-128-153-96-51-15-52-97-153)170(220-122-147-84-39-9-40-85-147)163(233-196)134-213-116-141-72-27-3-28-73-141)245-198-187(239-191(208)159-108-63-21-64-109-159)180(172(222-124-149-88-43-11-44-89-149)165(235-198)136-215-118-143-76-31-5-32-77-143)241-195-184(176(225-127-152-94-49-14-50-95-152)169(219-121-146-82-37-8-38-83-146)162(232-195)133-212-115-140-70-25-2-26-71-140)244-194-182(229-131-156-102-57-18-58-103-156)179(228-130-155-100-55-17-56-101-155)174(238-190(207)158-106-61-20-62-107-158)167(237-194)138-230-189(206)157-104-59-19-60-105-157/h1-66,68-111,161-188,193-199H,67,112-138H2,(H,205,210).

What are the key properties of [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate?

[3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate has a molecular weight of 3344.79 g/mol, XLogP of 32.32, 86 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for [3-benzoyloxy-6-[2-[3-benzoyloxy-2-[2-[3-benzoyloxy-2-[2-[4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]oxan-3-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-4-yl]oxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl]oxy-4,5-bis(phenylmethoxy)oxan-2-yl]methyl benzoate is sourced from PubChem (CID 177487740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).