• ChemBase ID: 140712
• Molecular Formular: C155H256O93
• Molecular Mass: 3607.63534
• Monoisotopic Mass: 3605.53026785
• SMILES: CC(CO)(CO)C(=O)OCC(C)(COC(=O)C(C)(CO)CO)C(=O)OCC(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)C(=O)OCCOCCOCC(COCCOC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)(COCCOC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COCCOC(=O)C(C)(COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO)COC(=O)C(C)(COC(=O)C(C)(CO)CO)COC(=O)C(C)(CO)CO
• Canonical SMILES: OCC(C(=O)OCC(C(=O)OCC(C(=O)OCCOCCOCC(COCCOC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)(COCCOC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)COCCOC(=O)C(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)(COC(=O)C(COC(=O)C(CO)(CO)C)(COC(=O)C(CO)(CO)C)C)C)(COC(=O)C(CO)(CO)C)C)(CO)C
• InChI: InChI=1S/C155H256O93/c1-127(39-156,40-157)99(188)225-79-147(21,80-226-100(189)128(2,41-158)42-159)119(208)241-71-143(17,72-242-120(209)148(22,81-227-101(190)129(3,43-160)44-161)82-228-102(191)130(4,45-162)46-163)115(204)221-35-31-216-29-30-217-95-155(96-218-32-36-222-116(205)144(18,73-243-121(210)149(23,83-229-103(192)131(5,47-164)48-165)84-230-104(193)132(6,49-166)50-167)74-244-122(211)150(24,85-231-105(194)133(7,51-168)52-169)86-232-106(195)134(8,53-170)54-171,97-219-33-37-223-117(206)145(19,75-245-123(212)151(25,87-233-107(196)135(9,55-172)56-173)88-234-108(197)136(10,57-174)58-175)76-246-124(213)152(26,89-235-109(198)137(11,59-176)60-177)90-236-110(199)138(12,61-178)62-179)98-220-34-38-224-118(207)146(20,77-247-125(214)153(27,91-237-111(200)139(13,63-180)64-181)92-238-112(201)140(14,65-182)66-183)78-248-126(215)154(28,93-239-113(202)141(15,67-184)68-185)94-240-114(203)142(16,69-186)70-187/h156-187H,29-98H2,1-28H3
• InChIKey: IEXLGBFSIFJFKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• Synonyms: ALH-32-OH; Hyperpolymer; PFH-32-OH; Hyperbranched Polymer; Hyperbranched bis-MPA polyester-32-hydroxyl, generation 3; 超支化聚合物; 超支化 bis-MPA 聚酯-32-羟基，3 代

Database IDs

• CAS Number: 326794-48-3
• PubChem SID: 162234952
• PubChem CID: 71310496

CALCULATED PROPERTIES

• Acid pKa: 13.910654
• H Acceptors: 65
• H Donor: 32
• LogD (pH = 5.5): -11.9581175
• LogD (pH = 7.4): -11.9581175
• Log P: -11.9581175
• Molar Refractivity: 826.2376 cm^3
• Polarizability: 333.80508 Å^3
• Polar Surface Area: 1429.91 Å^2
• Rotatable Bonds: 159
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder (lyophilized)
• Flash Point: >100 °C; >212 °F

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97%
• Description: hydroxyl surface groups
• Mol. Weight: generation 3
• No. of surface groups: 32 (avg.)
• Empirical Formula (Hill Notation): C155H256O93

DETAILS

Sigma Aldrich - 686581

General description
Soluble in polar solvents such as DMSO, and methanol. Emulsifies in water (colloidal system).
calculated mol. wt. 3,608
Other Notes
Bis-MPA =2,2-Bis(hydroxyl-methyl)propionic acid
Packaging
10 g in glass bottle