Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Casrn : 5977-20-8

MolName : Manganese GTP

MolecularFormula : Mn.C10H14N5O14P3

Smiles : NC(Nc1c2ncn1[C@@H]([C@@H]1[O-])O[C@H](COP(O)(OP(O)(OP(O)(O)=O)=O)=O)[C@H]1[O-])=NC2=O.[Mn+2]

InChI : InChI=1S/C10H14N5O14P3.Mn/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21;/h2-3,5-6,9H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18);/q-2;+2/t3-,5-,6+,9+;/m1./s1

InChIK : BPHQOTBFMXJDCY-FUCCWWBXSA-N

CanonicalSyTyLFy : 9c378c79f47fe568

TotalMolweight : 576.102

Molweight : 521.164

MonoisotopicMass : 520.975016

CLogP : -15.347

CLogS : 1.669

H Acceptors : 19

H Donors : 6

TotalSurfaceArea : 310.45

Relative PSA : 0.77674

PolarSurfaceArea : 329.9

Druglikeness : -24.456

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.5

Molecula Flexibility : 0.62108

Molecular Complexity : 0.92036

Fragments : 2

Non HAtoms : 32

NonCHAtoms : 22

Electronegative Atoms : 22

StereoCenters : 6

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 1

Aromatic Atoms : 5

Sp3Atoms : 18

Symmetricatoms : 1

Aromatic Nitrogens : 2

BasicNitrogens : 2

AcidicOxygens : 4

StereoCon : unknown chirality