Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
D-(+)-Neopterin |
EINECS | 217-924-7 |
CAS No. | 2009-64-5 | Density | 2.02 g/cm3 |
PSA | 158.50000 | LogP | -1.32460 |
Solubility | N/A | 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 | N/A | 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; |
Article Data | 6 |
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: 22.38×10-24 cm3; (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