3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone

C35H25N5O10 — CID 25191863

IUPAC3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone
SMILESO=C1CCc2c(c3c4c(c5c6c(c7c8c(c9c%10c(c2c2c3c5c7c92)N(O)C(=O)CC%10)N(O)C(=O)CC8)N(O)C(=O)CC6)N(O)C(=O)CC4)N1O
InChIInChI=1S/C35H25N5O10/c41-16-6-1-11-21-26-27-22(31(11)36(16)46)12-2-7-18(43)38(48)33(12)24-14-4-9-20(45)40(50)35(14)25-15-5-10-19(44)39(49)34(15)23(28(26)30(25)29(24)27)13-3-8-17(42)37(47)32(13)21/h46-50H,1-10H2
InChIKeyFOODFYXOYWTVRA-UHFFFAOYSA-N
MW675.61 g/mol
LogP4.11
Rot. Bonds

About 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone

3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone (PubChem CID 25191863) has the molecular formula C35H25N5O10 and a molecular weight of 675.61 g/mol. Its IUPAC name is 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone.

Molecular Properties

Compound Name3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone
PubChem CID25191863
Molecular FormulaC35H25N5O10
Molecular Weight675.61 g/mol
Exact Mass675.16
IUPAC Name3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone
SMILESO=C1CCc2c(c3c4c(c5c6c(c7c8c(c9c%10c(c2c2c3c5c7c92)N(O)C(=O)CC%10)N(O)C(=O)CC8)N(O)C(=O)CC6)N(O)C(=O)CC4)N1O
InChIInChI=1S/C35H25N5O10/c41-16-6-1-11-21-26-27-22(31(11)36(16)46)12-2-7-18(43)38(48)33(12)24-14-4-9-20(45)40(50)35(14)25-15-5-10-19(44)39(49)34(15)23(28(26)30(25)29(24)27)13-3-8-17(42)37(47)32(13)21/h46-50H,1-10H2
InChIKeyFOODFYXOYWTVRA-UHFFFAOYSA-N
XLogP4.11
TPSA202.70 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.61
LogP ≤ 54.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone with MolForge

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Related Compounds

5,10,19,24,29-Pentazaundecacyclo[21.10.2.02,15.03,8.04,32.09,14.013,18.016,34.017,22.027,35.028,33]pentatriaconta-1,3,8,13,15,17,22,27,32,34-decaene-6,11,20,25,30-pentone
CID 25191093
3,10,17,24,31-Pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone
CID 25191220
Copper;3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone
CID 25191862

Frequently Asked Questions

What is the IUPAC name of 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone?
The IUPAC name of 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone (CID 25191863) is 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone.
What is the SMILES notation for 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone?
The canonical SMILES for 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone is O=C1CCc2c(c3c4c(c5c6c(c7c8c(c9c%10c(c2c2c3c5c7c92)N(O)C(=O)CC%10)N(O)C(=O)CC8)N(O)C(=O)CC6)N(O)C(=O)CC4)N1O.
What is the InChIKey of 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone?
The InChIKey is FOODFYXOYWTVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N5O10/c41-16-6-1-11-21-26-27-22(31(11)36(16)46)12-2-7-18(43)38(48)33(12)24-14-4-9-20(45)40(50)35(14)25-15-5-10-19(44)39(49)34(15)23(28(26)30(25)29(24)27)13-3-8-17(42)37(47)32(13)21/h46-50H,1-10H2.
What are the key properties of 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone?
3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone has a molecular weight of 675.61 g/mol, XLogP of 4.11, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10,17,24,31-pentahydroxy-3,10,17,24,31-pentazaundecacyclo[27.6.5.02,7.08,37.09,14.015,38.016,21.022,39.023,28.030,35.036,40]tetraconta-1,7,9(14),15(38),16(21),22,28,30(35),36,39-decaene-4,11,18,25,32-pentone is sourced from PubChem (CID 25191863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).