CAS 799268-62-5 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)

What is the IUPAC name of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

The IUPAC name of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt) is tetraazanium;[(1S)-3-[[(2R)-2,3-di(hexanoyloxy)propoxy]-oxidophosphoryl]oxy-2,4-dihydroxy-5,6-bis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate.

What is the molecular formula of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

The molecular formula of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt) is C21H54N4O22P4.

What is the molecular weight of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

The molecular weight of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt) is 838.6g/mol.

What is the canonical SMILES notation of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

The canonical SMILES notation of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt) is CCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-])O)OC(=O)CCCCC.[NH4+].[NH4+].[NH4+].[NH4+]

How many defined atom stereocenter counts are there in 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

There are 2 defined atom stereocenter counts in 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt).

What is the exact mass of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

The exact mass of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt) is 838.21801735.

What are some of the depositor-supplied synonyms of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

Some depositor-supplied synonyms of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt) are 06:0 PI(3,4,5)P3 and 1,2-dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt).

How many hydrogen bond acceptor counts are there in 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

There are 22 hydrogen bond acceptor counts in 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt).

What is the InChI of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

The InChI of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt) is InChI=1S/C21H42O22P4.4H3N/c1-3-5-7-9-14(22)37-11-13(39-15(23)10-8-6-4-2)12-38-47(35,36)43-18-16(24)19(40-44(26,27)28)21(42-46(32,33)34)20(17(18)25)41-45(29,30)31;;;;/h13,16-21,24-25H,3-12H2,1-2H3,(H,35,36)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);4*1H3/t13-,16?,17?,18?,19+,20?,21?;;;;/m1..../s1

What is the topological polar surface area of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt)?

The topological polar surface area of 1,2-Dihexanoyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate) (ammonium salt) is 364.

Catalog Number	ACM799268625
CAS	799268-62-5
Synonyms	06:0 PI(3,4,5)P3
IUPAC Name	Tetraazanium;[(1S,2S,4S,5R)-3-[[(2R)-2,3-di(hexanoyloxy)propoxy]-oxidophosphoryl]oxy-2,4-dihydroxy-5,6-bis[[hydroxy(oxido)phosphoryl]oxy]cyclohexyl] hydrogen phosphate
Molecular Weight	838.6
Molecular Formula	C21H54N4O22P4
Canonical SMILES	CCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-])O)OC(=O)CCCCC.[NH4+].[NH4+].[NH4+].[NH4+]
InChI	InChI=1S/C21H42O22P4.4H3N/c1-3-5-7-9-14(22)37-11-13(39-15(23)10-8-6-4-2)12-38-47(35,36)43-18-16(24)19(40-44(26,27)28)21(42-46(32,33)34)20(17(18)25)41-45(29,30)31;;;;/h13,16-21,24-25H,3-12H2,1-2H3,(H,35,36)(H2,26,27,28)(H2,29,30,31)(H2,32,33,34);4*1H3/t13-,16+,17+,18,19-,20+,21;/m1./s1
InChI Key	YTZPLJSHLDNARZ-XLCQVJATSA-N
Purity	99%+
Complexity	1130
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	5
Exact Mass	838.21801735
Heavy Atom Count	51
Hydrogen Bond Acceptor Count	22
Hydrogen Bond Donor Count	9
Isomeric SMILES	CCCCCC(=O)OC[C@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)[O-])OP(=O)(O)[O-])OP(=O)(O)[O-])O)OC(=O)CCCCC.[NH4+].[NH4+].[NH4+].[NH4+]
Monoisotopic Mass	838.21801735
Physical State	Powder
Rotatable Bond Count	24
Storage Conditions	-20 °C
Topological Polar Surface Area	364 Å²