6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide

C65H55N3O34S11 — CID 159250983

IUPAC6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide
SMILESNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1.Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1.O=S(=O)(O)c1ccc2ccccc2c1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.O=S(=O)(O)c1cccc2ccccc12.O=S(=O)(O)c1cccnc1.O=S(=O)=O
InChIInChI=1S/C10H9NO6S2.C10H9NO4S.2C10H8O6S2.2C10H8O3S.C5H5NO3S.O3S/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;7-10(8,9)5-2-1-3-6-4-5;1-4(2)3/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1-5,12H,11H2,(H,13,14,15);2*1-6H,(H,11,12,13)(H,14,15,16);2*1-7H,(H,11,12,13);1-4H,(H,7,8,9);
InChIKeyKVHHZYSOXPBGLH-UHFFFAOYSA-N
MW1774.88 g/mol
LogP8.45
Rot. Bonds10

About 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide

6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide (PubChem CID 159250983) has the molecular formula C65H55N3O34S11 and a molecular weight of 1774.88 g/mol. Its IUPAC name is 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide.

Molecular Properties

Compound Name6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide
PubChem CID159250983
Molecular FormulaC65H55N3O34S11
Molecular Weight1774.88 g/mol
Exact Mass1772.96
IUPAC Name6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide
SMILESNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1.Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1.O=S(=O)(O)c1ccc2ccccc2c1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.O=S(=O)(O)c1cccc2ccccc12.O=S(=O)(O)c1cccnc1.O=S(=O)=O
InChIInChI=1S/C10H9NO6S2.C10H9NO4S.2C10H8O6S2.2C10H8O3S.C5H5NO3S.O3S/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;7-10(8,9)5-2-1-3-6-4-5;1-4(2)3/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1-5,12H,11H2,(H,13,14,15);2*1-6H,(H,11,12,13)(H,14,15,16);2*1-7H,(H,11,12,13);1-4H,(H,7,8,9);
InChIKeyKVHHZYSOXPBGLH-UHFFFAOYSA-N
XLogP8.45
TPSA680.07 Ų
H-Bond Donors13
H-Bond Acceptors27
Rotatable Bonds10
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001774.88
LogP ≤ 58.45
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide?
The IUPAC name of 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide (CID 159250983) is 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide.
What is the SMILES notation for 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide?
The canonical SMILES for 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide is Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1.Nc1ccc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1.O=S(=O)(O)c1ccc2c(S(=O)(=O)O)cccc2c1.O=S(=O)(O)c1ccc2ccccc2c1.O=S(=O)(O)c1cccc2c(S(=O)(=O)O)cccc12.O=S(=O)(O)c1cccc2ccccc12.O=S(=O)(O)c1cccnc1.O=S(=O)=O.
What is the InChIKey of 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide?
The InChIKey is KVHHZYSOXPBGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO6S2.C10H9NO4S.2C10H8O6S2.2C10H8O3S.C5H5NO3S.O3S/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17;11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16;11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;7-10(8,9)5-2-1-3-6-4-5;1-4(2)3/h1-5H,11H2,(H,12,13,14)(H,15,16,17);1-5,12H,11H2,(H,13,14,15);2*1-6H,(H,11,12,13)(H,14,15,16);2*1-7H,(H,11,12,13);1-4H,(H,7,8,9);.
What are the key properties of 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide?
6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide has a molecular weight of 1774.88 g/mol, XLogP of 8.45, 10 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-hydroxynaphthalene-2-sulfonic acid;7-aminonaphthalene-1,3-disulfonic acid;naphthalene-1,5-disulfonic acid;naphthalene-1,6-disulfonic acid;naphthalene-1-sulfonic acid;naphthalene-2-sulfonic acid;pyridine-3-sulfonic acid;sulfur trioxide is sourced from PubChem (CID 159250983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).