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174800-02-3

Basic Information
CAS No.: 174800-02-3
Name: FMOC-HYP(BZL)-OH
Article Data: 2
Molecular Structure:
Molecular Structure of 174800-02-3 (FMOC-HYP(BZL)-OH)
Formula: C27H25NO5
Molecular Weight: 443.499
Synonyms: 1,2-Pyrrolidinedicarboxylicacid, 4-(phenylmethoxy)-, 1-(9H-fluoren-9-ylmethyl) ester, (2S-trans)-;Fmoc-O-Benzyl-L-4-hydroxyproline;Fmoc-Hyp(Bzl)-OH;
Density: 1.34 g/cm3
Boiling Point: 640 °C at 760 mmHg
Flash Point: 340.9 °C
PSA: 76.07000
LogP: 4.61770
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Specification

The systematic name of Fmoc-O-Benzyl-L-4-hydroxyproline is (4R)-4-(benzyloxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-proline. With the CAS registry number 174800-02-3, it is also named as Fmoc-Hyp(Bzl)-OH. The product's categories are Unusual Amino Acids; Amino Acid Derivatives. In addition, its molecular formula is C27H25NO5 and its molecular weight is 443.49. This chemical should be stored at 2-8 °C.

The other characteristics of Fmoc-O-Benzyl-L-4-hydroxyproline can be summarized as: (1)ACD/LogP: 4.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 22.43; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 98.69; (8)ACD/KOC (pH 7.4): 2.38; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 76.07 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 122.81 cm3; (15)Molar Volume: 329 cm3; (16)Polarizability: 48.68×10-24cm3; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 340.9 °C; (20)Enthalpy of Vaporization: 99.31 kJ/mol; (21)Boiling Point: 640 °C at 760 mmHg; (22)Vapour Pressure: 2.95E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N5C[C@H](OCc4ccccc4)C[C@H]5C(O)=O
(2)InChI: InChI=1/C27H25NO5/c29-26(30)25-14-19(32-16-18-8-2-1-3-9-18)15-28(25)27(31)33-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24-25H,14-17H2,(H,29,30)/t19-,25+/m1/s1
(3)InChIKey: XGFMHBUVVWZBFT-CLOONOSVBT
(4)Std. InChI: InChI=1S/C27H25NO5/c29-26(30)25-14-19(32-16-18-8-2-1-3-9-18)15-28(25)27(31)33-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24-25H,14-17H2,(H,29,30)/t19-,25+/m1/s1
(5)Std. InChIKey: XGFMHBUVVWZBFT-CLOONOSVSA-N