(24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite

C25H16IN3O9 — CID 163675442

IUPAC(24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite
SMILESCOc1cc2c(cc1OI)oc1c3c4cc(ONN)c(O)cc4oc3c3c4cc(O)c(ON)cc4oc3c21
InChIInChI=1S/C25H16IN3O9/c1-32-18-4-10-15(7-19(18)36-26)35-25-21-9-3-17(38-29-27)12(31)5-13(9)33-23(21)20-8-2-11(30)16(37-28)6-14(8)34-24(20)22(10)25/h2-7,29-31H,27-28H2,1H3
InChIKeyNTPFUWOMJPIPAF-UHFFFAOYSA-N
MW629.32 g/mol
LogP5.54
Rot. Bonds5

About (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite

(24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite (PubChem CID 163675442) has the molecular formula C25H16IN3O9 and a molecular weight of 629.32 g/mol. Its IUPAC name is (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite.

Molecular Properties

Compound Name(24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite
PubChem CID163675442
Molecular FormulaC25H16IN3O9
Molecular Weight629.32 g/mol
Exact Mass628.99
IUPAC Name(24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite
SMILESCOc1cc2c(cc1OI)oc1c3c4cc(ONN)c(O)cc4oc3c3c4cc(O)c(ON)cc4oc3c21
InChIInChI=1S/C25H16IN3O9/c1-32-18-4-10-15(7-19(18)36-26)35-25-21-9-3-17(38-29-27)12(31)5-13(9)33-23(21)20-8-2-11(30)16(37-28)6-14(8)34-24(20)22(10)25/h2-7,29-31H,27-28H2,1H3
InChIKeyNTPFUWOMJPIPAF-UHFFFAOYSA-N
XLogP5.54
TPSA180.87 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500629.32
LogP ≤ 55.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite?
The IUPAC name of (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite (CID 163675442) is (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite.
What is the SMILES notation for (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite?
The canonical SMILES for (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite is COc1cc2c(cc1OI)oc1c3c4cc(ONN)c(O)cc4oc3c3c4cc(O)c(ON)cc4oc3c21.
What is the InChIKey of (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite?
The InChIKey is NTPFUWOMJPIPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16IN3O9/c1-32-18-4-10-15(7-19(18)36-26)35-25-21-9-3-17(38-29-27)12(31)5-13(9)33-23(21)20-8-2-11(30)16(37-28)6-14(8)34-24(20)22(10)25/h2-7,29-31H,27-28H2,1H3.
What are the key properties of (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite?
(24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite has a molecular weight of 629.32 g/mol, XLogP of 5.54, 5 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (24-aminooxy-14-hydrazinyloxy-15,23-dihydroxy-5-methoxy-9,18,27-trioxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-6-yl) hypoiodite is sourced from PubChem (CID 163675442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).