[5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate

C70H117N5O30 — CID 134310239

About [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate

[5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate (PubChem CID 134310239) has the molecular formula C70H117N5O30 and a molecular weight of 1508.71 g/mol. Its IUPAC name is [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate.

Molecular Properties

• Compound Name: [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate
• PubChem CID: 134310239
• Molecular Formula: C70H117N5O30
• Molecular Weight: 1508.71 g/mol
• Exact Mass: 1507.78
• IUPAC Name: [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate
• SMILES: CCC1OC(OCCOCCOCCNC(=O)CCC(NC(=O)C2CCC(O)CC2)C(=O)N(CC(=O)NCCOCCOCCOC2OC(CC)C(OC(C)=O)C(OC(C)=O)C2C)CC(=O)NCCOCCOCCOC2OC(CC)C(OC(C)=O)C(OC(C)=O)C2C)C(C)C(OC(C)=O)C1OC(C)=O
• InChI: InChI=1S/C70H117N5O30/c1-13-54-63(100-48(10)79)60(97-45(7)76)42(4)68(103-54)94-37-34-91-31-28-88-25-22-71-57(83)21-20-53(74-66(86)51-16-18-52(82)19-17-51)67(87)75(40-58(84)72-23-26-89-29-32-92-35-38-95-69-43(5)61(98-46(8)77)64(101-49(11)80)55(14-2)104-69)41-59(85)73-24-27-90-30-33-93-36-39-96-70-44(6)62(99-47(9)78)65(102-50(12)81)56(15-3)105-70/h42-44,51-56,60-65,68-70,82H,13-41H2,1-12H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)
• InChIKey: DTACLXPVASKYOY-UHFFFAOYSA-N
• XLogP: 1.03
• TPSA: 425.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 49
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1508.71
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

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 [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate?

The IUPAC name of [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate (CID 134310239) is [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate.

What is the SMILES notation for [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate?

The canonical SMILES for [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate is CCC1OC(OCCOCCOCCNC(=O)CCC(NC(=O)C2CCC(O)CC2)C(=O)N(CC(=O)NCCOCCOCCOC2OC(CC)C(OC(C)=O)C(OC(C)=O)C2C)CC(=O)NCCOCCOCCOC2OC(CC)C(OC(C)=O)C(OC(C)=O)C2C)C(C)C(OC(C)=O)C1OC(C)=O.

What is the InChIKey of [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate?

The InChIKey is DTACLXPVASKYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H117N5O30/c1-13-54-63(100-48(10)79)60(97-45(7)76)42(4)68(103-54)94-37-34-91-31-28-88-25-22-71-57(83)21-20-53(74-66(86)51-16-18-52(82)19-17-51)67(87)75(40-58(84)72-23-26-89-29-32-92-35-38-95-69-43(5)61(98-46(8)77)64(101-49(11)80)55(14-2)104-69)41-59(85)73-24-27-90-30-33-93-36-39-96-70-44(6)62(99-47(9)78)65(102-50(12)81)56(15-3)105-70/h42-44,51-56,60-65,68-70,82H,13-41H2,1-12H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86).

What are the key properties of [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate?

[5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate has a molecular weight of 1508.71 g/mol, XLogP of 1.03, 49 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [5-acetyloxy-2-[2-[2-[2-[[5-[bis[2-[2-[2-[2-(4,5-diacetyloxy-6-ethyl-3-methyloxan-2-yl)oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-[(4-hydroxycyclohexanecarbonyl)amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]-6-ethyl-3-methyloxan-4-yl] acetate is sourced from PubChem (CID 134310239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).