DIDNTB

• Catalog Number: ACM145551162
• Product Name: DIDNTB
• CAS: 145551-16-2
• Category: Main Products
• Description: DIDNTB is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
• Synonyms: 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxy-3-iodo-5-nitrophenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide
• Molecular Weight: 1011.74
• Molecular Formula: C19H6Br4I2N2O9S
• Canonical SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC(=C(C(=C4)I)O)[N+](=O)[O-]
• InChI: InChI=1S/C19H6Br4I2N2O9S/c20-12-11-18(15(23)14(22)13(12)21)37(34,35)36-19(11,5-1-7(24)16(28)9(3-5)26(30)31)6-2-8(25)17(29)10(4-6)27(32)33/h1-4,28-29H
• InChI Key: NMHYCKTXIQQVPE-UHFFFAOYSA-N
• Boiling Point: 735.4±60.0 °C
• Density: 2.717±0.06 g/mL
• Appearance: Red-brown solid
• Storage: Store at 2-8 ℃
• Exact Mass: 1007.46
• Isomeric SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)I)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC(=C(C(=C4)I)O)[N+](=O)[O-]
• pKa: 2.72±0.50
• PSA: 183.85
• XLogP3: 9.3114

Custom Q&A

What is the molecular formula of DIDNTB?

The molecular formula of DIDNTB is C19H6Br4I2N2O9S.

When was DIDNTB first created in PubChem?

DIDNTB was first created in PubChem on January 18, 2016.

What is the molecular weight of DIDNTB?

The molecular weight of DIDNTB is 1011.8 g/mol.

How many hydrogen bond donor counts does DIDNTB have?

DIDNTB has 2 hydrogen bond donor counts.

What is the exact mass of DIDNTB?

The exact mass of DIDNTB is 1011.45760 g/mol.

How many heavy atoms are present in DIDNTB?

There are 37 heavy atoms present in DIDNTB.

Is DIDNTB considered a canonicalized compound?

Yes, DIDNTB is considered a canonicalized compound.

What is the InChIKey of DIDNTB?

The InChIKey of DIDNTB is NMHYCKTXIQQVPE-UHFFFAOYSA-N.

How many rotatable bond counts does DIDNTB have?

DIDNTB has 2 rotatable bond counts.

What is the XLogP3-AA value of DIDNTB?

The XLogP3-AA value of DIDNTB is 8.1.

Case Study

DIDNTB Dye for Highly Sensitive Determination of Albumin in Urine

Kumar D, et al. Clinica Chimica Acta, 2017, 469: 150-160.

DIDNTB dye strips are highly specific for albumin and sensitive enough to detect microalbuminuria.
Its optimum pH range is 1.5-2.5. Lower pH offers an advantage to minimize the interference from other substances like immunoglobulins, metabolites, drugs, etc., except anionic agents like sodium dodecyl sulfate.