disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride

C10H10Na2O8S2 — CID 173012475

IUPACdisodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
SMILESO=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H8O8S2.2Na.2H/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;;;/q;2*+1;2*-1
InChIKeyPZOKBISQSFUUPS-UHFFFAOYSA-N
MW368.30 g/mol
LogP-5.02
Rot. Bonds2

About disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride

disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride (PubChem CID 173012475) has the molecular formula C10H10Na2O8S2 and a molecular weight of 368.30 g/mol. Its IUPAC name is disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride.

Molecular Properties

Compound Namedisodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
PubChem CID173012475
Molecular FormulaC10H10Na2O8S2
Molecular Weight368.30 g/mol
Exact Mass367.96
IUPAC Namedisodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride
SMILESO=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C10H8O8S2.2Na.2H/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;;;/q;2*+1;2*-1
InChIKeyPZOKBISQSFUUPS-UHFFFAOYSA-N
XLogP-5.02
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 5-5.02
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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Related Compounds

Chromotropic acid sodium salt
CID 88518702
4,5,7-trihydroxynaphthalene-2-sulfonic acid
CID 82254474
5-amino-4-hydroxy-7-sulfanylnaphthalene-2-sulfonic acid
CID 143211913
3,4,5-trihydroxybenzenesulfonic acid
CID 15787789
4-(ethylamino)-5-hydroxynaphthalene-2,7-disulfonic acid
CID 23320334
CID 87126465
CID 87126465
sodium;4,5-dihydroxybenzene-1,3-disulfonic acid;hydride
CID 172995228
4,5-dihydroxy-7-(3-hydroxy-7-sulfonaphthalen-2-yl)oxysulfonylnaphthalene-2-sulfonic acid
CID 91605554
disodium;hydride;6-hydroxynaphthalene-2-sulfonic acid
CID 173012755
disodium;4,5-dihydroxy-3-[(2-hydroxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid;hydride
CID 173457469
7-amino-4-hydroxy-5-(2-sulfopropan-2-yl)naphthalene-2-sulfonic acid
CID 56973887
trisodium;4,5-dihydroxy-3-[(4-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
CID 170919803

Frequently Asked Questions

What is the IUPAC name of disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride?
The IUPAC name of disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride (CID 173012475) is disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride.
What is the SMILES notation for disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride?
The canonical SMILES for disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride is O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)cc2c1.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride?
The InChIKey is PZOKBISQSFUUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O8S2.2Na.2H/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;;;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);;;;/q;2*+1;2*-1.
What are the key properties of disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride?
disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride has a molecular weight of 368.30 g/mol, XLogP of -5.02, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;4,5-dihydroxynaphthalene-2,7-disulfonic acid;hydride is sourced from PubChem (CID 173012475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).