Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Hydroxy-1-adamantyl-D-glycine |
EINECS | 1308068-626-2 |
CAS No. | 709031-29-8 | Density | 1.409 g/cm3 |
PSA | 83.55000 | LogP | 1.42990 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H19NO3 | Boiling Point | 401.967 °C at 760 mmHg |
Molecular Weight | 225.28 | Flash Point | 196.903 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(alphaS)-alpha-Amino-3-hydroxytricyclo[3.3.1.13,7]decane-1-acetic acid; |
Article Data | 15 |
The 3-Hydroxy-1-adamantyl-D-glycine with the cas number 709031-29-8 is also called Saxagliptin Intermediate 1. The systematic name is (2S)-amino(3-hydroxytricyclo[3.3.1.1~3,7~]dec-1-yl)ethanoic acid. Its molecular formula is C12H19NO3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 83.55 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 57.946 cm3; (15)Molar Volume: 159.857 cm3; (16)Polarizability: 22.972×10-24cm3; (17)Surface Tension: 79.64 dyne/cm; (18)Enthalpy of Vaporization: 75.481 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)C12CC3CC(O)(C1)CC(C2)C3
(2)InChI: InChI=1/C12H19NO3/c13-9(10(14)15)11-2-7-1-8(3-11)5-12(16,4-7)6-11/h7-9,16H,1-6,13H2,(H,14,15)/t7?,8?,9-,11?,12?/m1/s1
(3)InChIKey: ZOFWFAZCJJJYCE-WNMKMJAUBV