PtdIns-(1,2-dipalmitoyl) (ammonium salt)

Catalog Number	ACM34290578
CAS	34290-57-8
Synonyms	16:0 PI
IUPAC Name	Azane;[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Molecular Weight	828.1
Molecular Formula	C41H82NO13P
Canonical SMILES	CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC.N
InChI	InChI=1S/C41H79O13P.H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)51-31-33(32-52-55(49,50)54-41-39(47)37(45)36(44)38(46)40(41)48)53-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h33,36-41,44-48H,3-32H2,1-2H3,(H,49,50);1H3/t33-,36?,37-,38+,39-,40-,41;/m1./s1
InChI Key	MRDHBHKPDFRCJQ-HUKLJVEISA-N
Purity	99%+
Complexity	985
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	5
Exact Mass	827.55237867
Heavy Atom Count	56
Hydrogen Bond Acceptor Count	14
Hydrogen Bond Donor Count	7
Isomeric SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC.N
Monoisotopic Mass	827.55237867
Physical State	Powder
Rotatable Bond Count	38
Storage Conditions	-20 °C
Topological Polar Surface Area	211 Ų

Knowledge & Learning Case Study Q&A

What is the CAS number of PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

The CAS number of PtdIns-(1,2-dipalmitoyl) (ammonium salt) is 34290-57-8.

What is the molecular formula of PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

The molecular formula of PtdIns-(1,2-dipalmitoyl) (ammonium salt) is C41H82NO13P.

What is the molecular weight of PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

The molecular weight of PtdIns-(1,2-dipalmitoyl) (ammonium salt) is 828.1g/mol.

What is the Canonical SMILES of PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

The Canonical SMILES of PtdIns-(1,2-dipalmitoyl) (ammonium salt) is CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC.N

How many heavy atoms are present in PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

There are 56 heavy atoms present in PtdIns-(1,2-dipalmitoyl) (ammonium salt).

What is the Computed Properties Rotatable Bond Count of PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

The Computed Properties Rotatable Bond Count of PtdIns-(1,2-dipalmitoyl) (ammonium salt) is 38.

What is the IUPAC Name of PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

The IUPAC Name of PtdIns-(1,2-dipalmitoyl) (ammonium salt) is azane;[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate.

What is the InChIKey of PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

The InChIKey of PtdIns-(1,2-dipalmitoyl) (ammonium salt) is MRDHBHKPDFRCJQ-HUKLJVEISA-N.

How many hydrogen bond acceptor counts are there in PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

There are 14 hydrogen bond acceptor counts in PtdIns-(1,2-dipalmitoyl) (ammonium salt).

What is the Depositor-Supplied Synonym for PtdIns-(1,2-dipalmitoyl) (ammonium salt)?

The Depositor-Supplied Synonym for PtdIns-(1,2-dipalmitoyl) (ammonium salt) is 34290-57-8.

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