3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid

C10H10O8S2 — CID 19913239

IUPAC3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)C1=CC2=CC(O)(S(=O)(=O)O)C=CC2=CC1O
InChIInChI=1S/C10H10O8S2/c11-8-3-6-1-2-10(12,20(16,17)18)5-7(6)4-9(8)19(13,14)15/h1-5,8,11-12H,(H,13,14,15)(H,16,17,18)
InChIKeyBBIQVZNAYZKWQQ-UHFFFAOYSA-N
MW322.32 g/mol
LogP-0.87
Rot. Bonds2

About 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid

3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid (PubChem CID 19913239) has the molecular formula C10H10O8S2 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid.

Molecular Properties

Compound Name3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid
PubChem CID19913239
Molecular FormulaC10H10O8S2
Molecular Weight322.32 g/mol
Exact Mass321.98
IUPAC Name3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid
SMILESO=S(=O)(O)C1=CC2=CC(O)(S(=O)(=O)O)C=CC2=CC1O
InChIInChI=1S/C10H10O8S2/c11-8-3-6-1-2-10(12,20(16,17)18)5-7(6)4-9(8)19(13,14)15/h1-5,8,11-12H,(H,13,14,15)(H,16,17,18)
InChIKeyBBIQVZNAYZKWQQ-UHFFFAOYSA-N
XLogP-0.87
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid?
The IUPAC name of 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid (CID 19913239) is 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid.
What is the SMILES notation for 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid?
The canonical SMILES for 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid is O=S(=O)(O)C1=CC2=CC(O)(S(=O)(=O)O)C=CC2=CC1O.
What is the InChIKey of 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid?
The InChIKey is BBIQVZNAYZKWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O8S2/c11-8-3-6-1-2-10(12,20(16,17)18)5-7(6)4-9(8)19(13,14)15/h1-5,8,11-12H,(H,13,14,15)(H,16,17,18).
What are the key properties of 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid?
3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid has a molecular weight of 322.32 g/mol, XLogP of -0.87, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-3H-naphthalene-2,7-disulfonic acid is sourced from PubChem (CID 19913239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).