CID 16727529

[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate

Structural Information

Molecular Formula
H36O103P34
SMILES
OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/H36O103P34/c1-104(2,3)71-106(7,8)73-108(11,12)75-110(15,16)77-112(19,20)79-114(23,24)81-116(27,28)83-118(31,32)85-120(35,36)87-122(39,40)89-124(43,44)91-126(47,48)93-128(51,52)95-130(55,56)97-132(59,60)99-134(63,64)101-136(67,68)103-137(69,70)102-135(65,66)100-133(61,62)98-131(57,58)96-129(53,54)94-127(49,50)92-125(45,46)90-123(41,42)88-121(37,38)86-119(33,34)84-117(29,30)82-115(25,26)80-113(21,22)78-111(17,18)76-109(13,14)74-107(9,10)72-105(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H2,1,2,3)(H2,4,5,6)
InChIKey
CAFPVNLDUMVNNK-UHFFFAOYSA-N
Compound name
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

2736.8657 Da
Monoisotopic Mass

-38.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2737.8730 312.9
[M+Na]+ 2759.8549 313.0
[M-H]- 2735.8584 313.1
[M+NH4]+ 2754.8995 312.9
[M+K]+ 2775.8289 312.9
[M+H-H2O]+ 2719.8630 312.8
[M+HCOO]- 2781.8639 312.9
[M+CH3COO]- 2795.8796 312.9
[M+Na-2H]- 2757.8404 313.8
[M]+ 2736.8652 312.5
[M]- 2736.8662 312.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.