D-(+)-Neopterin supplier | CasNO.2009-64-5

Name
D-(+)-NEOPTERIN
EINECS 217-924-7
CAS No. 2009-64-5
Article Data6
CAS DataBase
Density 2.02 g/cm³
Solubility
Melting Point >232°C (dec.)
Formula C₉H₁₁N₅O₄
Boiling Point 697.7 °C at 760 mmHg
Molecular Weight 253.217
Flash Point 375.7 °C
Transport Information
Appearance Off-white to yellow solid
Safety 26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2,3-Propanetriol,1-(2-amino-4-hydroxy-6-pteridinyl)-, D-erythro- (8CI);D-(+)-Neopterin;D-Neopterin;2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(1H)-one;6-(D-Erythro-1,2,3-Trihydroxypropyl)pterin;
PSA 158.50000
LogP -1.32460

D-(+)-Neopterin Specification

The 4(3H)-Pteridinone,2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-, with the CAS registry number 2009-64-5, is also known as 6-(D-Erythro-1,2,3-Trihydroxypropyl)pterin. This chemical's molecular formula is C₉H₁₁N₅O₄ and molecular weight is 253.21. What's more, its systematic name is 2-Amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]pteridin-4(1H)-one and its EINECS number is 217-924-7. The product should be sealed and stored at the temperature of 2-8 °C and it should be protected from strong oxidizers.

Physical properties of 4(3H)-Pteridinone,2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]- are: (1)ACD/LogP: -4.57; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 6; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 89.38 Å²; (11)Index of Refraction: 1.86; (12)Molar Refractivity: 56.46 cm³; (13)Molar Volume: 125.2 cm³; (14)Polarizability: 22.38×10^-24cm³; (15)Surface Tension: 105 dyne/cm; (16)Density: 2.02 g/cm³; (17)Flash Point: 375.7 °C; (18)Enthalpy of Vaporization: 107.28 kJ/mol; (19)Boiling Point: 697.7 °C at 760 mmHg; (20)Vapour Pressure: 1.97E-20 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(N=C2C(=N1)NC(=NC2=O)N)C(C(CO)O)O
(2)InChI: InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1
(3)InChIKey: BMQYVXCPAOLZOK-XINAWCOVSA-N

Product Name

D-(+)-NEOPTERIN

D-(+)-Neopterin Specification

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