N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate

C103H194N6O64P5-3 — CID 162215894

IUPACN-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate
SMILESCC(COCCC(=O)NCCOCCOCCOC1OC(COOP([PH-])P)C(O)C(O)C1O)(COCCC(=O)NCCOCCOCCOC1OC(COP(=O)([O-])O)C(O)C(O)C1O)COCCC(=O)NCCOCCOCCOC1OC(COP(=O)([O-])O)C(O)C(O)C1O.CC1C(OCCOCCOCCNC(=O)CCOCC(C)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O
InChIInChI=1S/C53H99N3O27.C50H97N3O37P5/c1-35-44(63)47(66)38(29-57)81-50(35)78-26-23-72-20-17-69-14-8-54-41(60)5-11-75-32-53(4,33-76-12-6-42(61)55-9-15-70-18-21-73-24-27-79-51-36(2)45(64)48(67)39(30-58)82-51)34-77-13-7-43(62)56-10-16-71-19-22-74-25-28-80-52-37(3)46(65)49(68)40(31-59)83-52;1-50(29-78-8-2-35(54)51-5-11-72-14-17-75-20-23-81-47-44(63)41(60)38(57)32(87-47)26-84-90-93(91)92,30-79-9-3-36(55)52-6-12-73-15-18-76-21-24-82-48-45(64)42(61)39(58)33(88-48)27-85-94(66,67)68)31-80-10-4-37(56)53-7-13-74-16-19-77-22-25-83-49-46(65)43(62)40(59)34(89-49)28-86-95(69,70)71/h35-40,44-52,57-59,63-68H,5-34H2,1-4H3,(H,54,60)(H,55,61)(H,56,62);32-34,38-49,57-65,91H,2-31,92H2,1H3,(H,51,54)(H,52,55)(H,53,56)(H2,66,67,68)(H2,69,70,71)/q;-1/p-2
InChIKeyZTLPWMBVVHJIRR-UHFFFAOYSA-L
MW2695.53 g/mol
LogP-12.78
Rot. Bonds103

About N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate

N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate (PubChem CID 162215894) has the molecular formula C103H194N6O64P5-3 and a molecular weight of 2695.53 g/mol. Its IUPAC name is N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate.

Molecular Properties

Compound NameN-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate
PubChem CID162215894
Molecular FormulaC103H194N6O64P5-3
Molecular Weight2695.53 g/mol
Exact Mass2694.08
IUPAC NameN-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate
SMILESCC(COCCC(=O)NCCOCCOCCOC1OC(COOP([PH-])P)C(O)C(O)C1O)(COCCC(=O)NCCOCCOCCOC1OC(COP(=O)([O-])O)C(O)C(O)C1O)COCCC(=O)NCCOCCOCCOC1OC(COP(=O)([O-])O)C(O)C(O)C1O.CC1C(OCCOCCOCCNC(=O)CCOCC(C)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O
InChIInChI=1S/C53H99N3O27.C50H97N3O37P5/c1-35-44(63)47(66)38(29-57)81-50(35)78-26-23-72-20-17-69-14-8-54-41(60)5-11-75-32-53(4,33-76-12-6-42(61)55-9-15-70-18-21-73-24-27-79-51-36(2)45(64)48(67)39(30-58)82-51)34-77-13-7-43(62)56-10-16-71-19-22-74-25-28-80-52-37(3)46(65)49(68)40(31-59)83-52;1-50(29-78-8-2-35(54)51-5-11-72-14-17-75-20-23-81-47-44(63)41(60)38(57)32(87-47)26-84-90-93(91)92,30-79-9-3-36(55)52-6-12-73-15-18-76-21-24-82-48-45(64)42(61)39(58)33(88-48)27-85-94(66,67)68)31-80-10-4-37(56)53-7-13-74-16-19-77-22-25-83-49-46(65)43(62)40(59)34(89-49)28-86-95(69,70)71/h35-40,44-52,57-59,63-68H,5-34H2,1-4H3,(H,54,60)(H,55,61)(H,56,62);32-34,38-49,57-65,91H,2-31,92H2,1H3,(H,51,54)(H,52,55)(H,53,56)(H2,66,67,68)(H2,69,70,71)/q;-1/p-2
InChIKeyZTLPWMBVVHJIRR-UHFFFAOYSA-L
XLogP-12.78
TPSA973.28 Ų
H-Bond Donors26
H-Bond Acceptors62
Rotatable Bonds103
Heavy Atoms178
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002695.53
LogP ≤ 5-12.78
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1062

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate?
The IUPAC name of N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate (CID 162215894) is N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate.
What is the SMILES notation for N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate?
The canonical SMILES for N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate is CC(COCCC(=O)NCCOCCOCCOC1OC(COOP([PH-])P)C(O)C(O)C1O)(COCCC(=O)NCCOCCOCCOC1OC(COP(=O)([O-])O)C(O)C(O)C1O)COCCC(=O)NCCOCCOCCOC1OC(COP(=O)([O-])O)C(O)C(O)C1O.CC1C(OCCOCCOCCNC(=O)CCOCC(C)(COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)COCCC(=O)NCCOCCOCCOC2OC(CO)C(O)C(O)C2C)OC(CO)C(O)C1O.
What is the InChIKey of N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate?
The InChIKey is ZTLPWMBVVHJIRR-UHFFFAOYSA-L. The full InChI is InChI=1S/C53H99N3O27.C50H97N3O37P5/c1-35-44(63)47(66)38(29-57)81-50(35)78-26-23-72-20-17-69-14-8-54-41(60)5-11-75-32-53(4,33-76-12-6-42(61)55-9-15-70-18-21-73-24-27-79-51-36(2)45(64)48(67)39(30-58)82-51)34-77-13-7-43(62)56-10-16-71-19-22-74-25-28-80-52-37(3)46(65)49(68)40(31-59)83-52;1-50(29-78-8-2-35(54)51-5-11-72-14-17-75-20-23-81-47-44(63)41(60)38(57)32(87-47)26-84-90-93(91)92,30-79-9-3-36(55)52-6-12-73-15-18-76-21-24-82-48-45(64)42(61)39(58)33(88-48)27-85-94(66,67)68)31-80-10-4-37(56)53-7-13-74-16-19-77-22-25-83-49-46(65)43(62)40(59)34(89-49)28-86-95(69,70)71/h35-40,44-52,57-59,63-68H,5-34H2,1-4H3,(H,54,60)(H,55,61)(H,56,62);32-34,38-49,57-65,91H,2-31,92H2,1H3,(H,51,54)(H,52,55)(H,53,56)(H2,66,67,68)(H2,69,70,71)/q;-1/p-2.
What are the key properties of N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate?
N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate has a molecular weight of 2695.53 g/mol, XLogP of -12.78, 103 rotatable bonds, 26 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]-3-[3-[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxyethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanamide;[3,4,5-trihydroxy-6-[2-[2-[2-[3-[2-methyl-2-[[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[hydroxy(oxido)phosphoryl]oxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]methyl]-3-[3-oxo-3-[2-[2-[2-[3,4,5-trihydroxy-6-[[phosphanidyl(phosphanyl)phosphanyl]peroxymethyl]oxan-2-yl]oxyethoxy]ethoxy]ethylamino]propoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl hydrogen phosphate is sourced from PubChem (CID 162215894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).