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| CAS No.: | 6779-87-9 |
|---|---|
| Name: | 7,8-DIHYDRO-L-BIOPTERIN |
| Molecular Structure: | |
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| Formula: | C9H13N5O3 |
| Molecular Weight: | 239.234 |
| Synonyms: | 7,8-Dihydrobiopterin;Dihydrobiopterin;L-erythro-7,8-Dihydrobiopterin;L-erythro-Dihydrobiopterin;1,2-Propanediol,1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-, L-erythro- (8CI);4(1H)-Pteridinone,2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydro-, [S-(R*,S*)]-;4(1H)-Pteridinone,2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro- (9CI);7,8-Dihydro-L-biopterin; |
| Density: | 1.88 g/cm3 |
| Melting Point: | >300°C dec. |
| Boiling Point: | 470.8 °C at 760 mmHg |
| Flash Point: | 238.5 °C |
| PSA: | 136.62000 |
| LogP: | -1.25340 |
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- Total:30 Page 1 of 1 1
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Specification
This chemical is called 4(3H)-Pteridinone,2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro-, and its systematic name is 2-Amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(1H)-one. With the molecular formula of C9H13N5O3, its molecular weight is 239.23. The CAS registry number of the chemical is 6779-87-9. However, this chemical should be sealed in the cool and dry place at the temperature of -20 °C.
Other characteristics of 4(3H)-Pteridinone,2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-7,8-dihydro- can be summarised as followings: (1)ACD/LogP: -3.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.4; (4)ACD/LogD (pH 7.4): -5.37; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.97 Å2; (13)Index of Refraction: 1.821; (14)Molar Refractivity: 55.42 cm3; (15)Molar Volume: 127.1 cm3; (16)Polarizability: 21.97×10-24cm3; (17)Surface Tension: 86.7 dyne/cm; (18)Density: 1.88 g/cm3; (19)Flash Point: 238.5 °C; (20)Enthalpy of Vaporization: 84.56 kJ/mol; (21)Boiling Point: 470.8 °C at 760 mmHg; (22)Vapour Pressure: 7.66E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1\N=C(/NC=2NC\C(=N/C1=2)[C@@H](O)[C@@H](O)C)N
2.InChI: InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
3.InChIKey: FEMXZDUTFRTWPE-DZSWIPIPBB
4.Std. InChI: InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,6-/m0/s1
5.Std. InChIKey: FEMXZDUTFRTWPE-DZSWIPIPSA-N