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Cas Database |
| Name |
Glufosfamide |
EINECS | N/A |
| CAS No. | 132682-98-5 | Density | 1.56 g/cm3 |
| PSA | 150.32000 | LogP | -0.65040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H21Cl2N2O7P | Boiling Point | 569.9 °C at 760 mmHg |
| Molecular Weight | 383.166 | Flash Point | 298.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
D19575;Glucosylifosfamide mustard;Glufosfamide;Glucosylifostamide mustard;(2S,3R,4S,5S,6R)-2-Bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol; |
Article Data | 1 |
Glufosfamide Synthetic route
- 132683-11-5
C18H29Cl2N2O11P
- 132682-98-5
glufosfamide
| Conditions | Yield |
|---|---|
| Stage #1: C18H29Cl2N2O11P With methanol; sodium methylate at 0 - 20℃; for 0.5h; Stage #2: | 89% |
- 132682-98-5
glufosfamide
A
- 31645-39-3
ifosfamide mustard
| Conditions | Yield |
|---|---|
| With cacodylate buffer at 37℃; pH=7.4; Product distribution; |
| Conditions | Yield |
|---|---|
| With pyridine at 20℃; for 1h; Product distribution / selectivity; |
Glufosfamide Specification
The IUPAC name of Glufosfamide is (2S,3R,4S,5S,6R)-2-bis(2-chloroethylamino)phosphoryloxy-6-(hydroxymethyl)oxane-3,4,5-triol. With the CAS registry number 132682-98-5, it is also named as Glucosylifostamide mustard. In addition, its molecular formula is C10H21Cl2N2O7P and molecular weight is 383.16.
The other characteristics of Glufosfamide can be summarized as: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -1.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.2; (8)ACD/KOC (pH 7.4): 6.2; (9)#H bond acceptors: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 88.74 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 79.52 cm3; (15)Molar Volume: 244.7 cm3; (16)Polarizability: 31.52×10-24cm3; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.56 g/cm3; (19)Flash Point: 298.5 °C; (20)Enthalpy of Vaporization: 98.2 kJ/mol; (21)Boiling Point: 569.9 °C at 760 mmHg; (22)Vapour Pressure: 2.31E-15 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=P(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)(NCCCl)NCCCl
(2)InChI: InChI=1/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1
(3)InChIKey: PSVUJBVBCOISSP-SPFKKGSWBL
(4)Std. InChI: InChI=1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1
(5)Std. InChIKey: PSVUJBVBCOISSP-SPFKKGSWSA-N
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