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488-69-7

Basic Information
CAS No.: 488-69-7
Name: D-fructose 1,6-bis(dihydrogen phosphate)
Article Data: 27
Molecular Structure:
Molecular Structure of 488-69-7 (D-fructose 1,6-bis(dihydrogen phosphate))
Formula: C6H14O12P2
Molecular Weight: 340.117
Synonyms: Fructose,1,6-bis(dihydrogen phosphate), D- (6CI,8CI);D-Fructose 1,6-biphosphate;D-Fructose 1,6-bisphosphate;D-Fructose 1,6-diphosphate;Diphosphofructose;Esafosfan;Esafosfina;FDP;Fosfructose;Fructose 1,6-bis(dihydrogenphosphate);Fructose 1,6-bisphosphate;Fructose 1,6-diphosphate;Harden-Youngester;
EINECS: 207-683-6
Density: 2.095 g/cm3
Boiling Point: 722.6 °C at 760 mmHg
Flash Point: 390.8 °C
Transport Information: 1759
PSA: 223.06000
LogP: -2.98580
Synthetic route
50-99-7

D-glucose

488-69-7

fructose-1,6-bisphosphate

Conditions
ConditionsYield
mit Hilfe von Bier-Hefe;
57-50-1

Sucrose

488-69-7

fructose-1,6-bisphosphate

Conditions
ConditionsYield
With disodium phosphate mit Hilfe von Bier-Hefe;
With sodium dihydrogenphosphate mit Hilfe von Baecker-Hefe;
57-04-5

dihydroxyacetone phosphate

591-57-1

D-glyceraldehyde-3-phosphate

488-69-7

fructose-1,6-bisphosphate

Conditions
ConditionsYield
fructose-1,6-diphosphate aldolase Rate constant;
717817-28-2

fructofuranose 1,6-bisphosphate

A

34693-23-7

α-D-fructofuranose 1,6-diphosphate

B

34693-15-7

fructose 1,6-diphosphate

C

488-69-7

fructose-1,6-bisphosphate

Conditions
ConditionsYield
In water; water-d2 Rate constant; by NMR method;A 13.1 % Spectr.
B 86.0 % Spectr.
C 0.9 % Spectr.
dioxyacetone(?)

dioxyacetone(?)

488-69-7

fructose-1,6-bisphosphate

Conditions
ConditionsYield
bei zellfreier alkoh. Gaerung;
57-04-5

dihydroxyacetone phosphate

488-69-7

fructose-1,6-bisphosphate

Conditions
ConditionsYield
Stage #1: dihydroxyacetone phosphate With triosephosphate isomerase Enzymatic reaction;
Stage #2: With Escherichia coli K-12 aldolase YdjI In aq. buffer for 24h; pH=8; Enzymatic reaction;
Conditions
ConditionsYield
With Tris-HCl buffer at 25℃; for 3h; aldolase, triosephosphate isomerase;90%
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Specification

This chemical is called D-Fructose, 1,6-bis(dihydrogen phosphate), and it can also be named as D-Fructofuranose, 1,6-bis(dihydrogen phosphate). With the molecular formula of C6H14O12P2, its molecular weight is 340.12. The CAS registry number of this chemical is 488-69-7.

Other characteristics of the D-Fructose, 1,6-bis(dihydrogen phosphate) can be summarised as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -4.13; (4)ACD/LogD (pH 7.4): -5.58; (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: 12; (10)#H bond donors: 7; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 146.06 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 57.49 cm3; (15)Molar Volume: 162.3 cm3; (16)Polarizability: 22.79×10-24cm3; (17)Surface Tension: 130.3 dyne/cm; (18)Density: 2.095 g/cm3; (19)Flash Point: 390.8 °C; (20)Enthalpy of Vaporization: 120.55 kJ/mol; (21)Boiling Point: 722.6 °C at 760 mmHg; (22)Vapour Pressure: 4.13E-24 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=P(OC[C@@]1(O)O[C@@H]([C@@H](O)[C@@H]1O)COP(=O)(O)O)(O)O
2.InChI: InChI=1/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1
3.InChIKey: RNBGYGVWRKECFJ-ARQDHWQXBZ