TREHALOSE 6,6'-DIMYCOLATE

CAS No.
61512-20-7
CCD No.
CCD04335790
Formula
C130 H250 O15
MolWeight
2053.39

Basic Information

Product Name: TREHALOSE 6,6'-DIMYCOLATE
CAS: 61512-20-7
English Synonyms: TREHALOSE 6,6'-DIMYCOLATE ; 6,6'-DI-O-MYCOLOYL-ALPHA,ALPHA-TREHALOSE ; CORD FACTOR ; TDM
MDL Number.: MFCD18643296
H bond acceptor: 15
H bond donor: 8
Smile: CCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCC)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCC[C@H]4C[C@H]4CCCCCCCCCCCCC)O)O)O)O)O)O)O
InChi: InChI=1S/C130H250O15/c1-5-9-13-17-21-25-29-31-33-35-37-39-41-43-49-55-63-71-79-87-95-103-115(117(131)105-97-89-81-73-65-57-51-45-47-53-61-69-77-85-93-101-113-107-111(113)99-91-83-75-67-59-27-23-19-15-11-7-3)127(139)141-109-119-121(133)123(135)125(137)129(143-119)145-130-126(138)124(136)122(134)120(144-130)110-142-128(140)116(104-96-88-80-72-64-56-50-44-42-40-38-36-34-32-30-26-22-18-14-10-6-2)118(132)106-98-90-82-74-66-58-52-46-48-54-62-70-78-86-94-102-114-108-112(114)100-92-84-76-68-60-28-24-20-16-12-8-4/h111-126,129-138H,5-110H2,1-4H3/t111-,112+,113+,114-,115?,116?,117?,118?,119-,120-,121-,122-,123+,124+,125-,126-,129-,130-/m1/s1
InChiKey: InChIKey=VCTJYKFTJGVGQG-SDBHDZEBSA-N

Property

Specification: BIOCHEMICALS GRADE
Information: FROM MYCOBACTERIUM TUBERCULOSIS AOYAMA-B(CORD FACTOR)

Safety information

WGK Germany: 3

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