2,3,4,5-tetrahydroxy-N-phenyl-pentanehydrazide 5346-84-9

Details:

Identification and Related Records
【Name】
1-(2-phenylhydrazinyl)pentose
【Iupac name】
2,3,4,5-tetrahydroxy-N'-phenylpentanehydrazide
【CAS Registry number】
5346-84-9
【Synonyms】
1-(2-phenylhydrazinyl)pentose
2,3,4,5-tetrahydroxy-N'
-phenylpentanehydrazide
5346-84-9
NSC1687
AC1L57QE
AC1Q5Q9F
KST-1B6042
NSC-1687
AR-1B1110
L-ARABINOIC ACID, 2-PHENYLHYDRAZIDE
【Molecular Formula】
C11H16N2O5 (Products with the same molecular formula)
【Molecular Weight】
256.2551
【Inchi】
InChI=1/C11H16N2O5/c14-6-8(15)9(16)10(17)11(18)13-12-7-4-2-1-3-5-7/h1-5,8-10,12,14-17H,6H2,(H,13,18)
【Canonical SMILES】
C1=CC=C(C=C1)NNC(=O)C(C(C(CO)O)O)O
【MOL File】
5346-84-9.mol
Chemical and Physical Properties
【Density】
1.489g/cm3
【Boiling Point】
518.8°C at 760 mmHg
【Refractive Index】
1.667
【Flash Point】
267.6°C
【Computed Properties】
Molecular Weight:256.25514 [g/mol]
Molecular Formula:C11H16N2O5
XLogP3-AA:-0.6
H-Bond Donor:6
H-Bond Acceptor:6
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:256.105922
MonoIsotopic Mass:256.105922
Topological Polar Surface Area:122
Heavy Atom Count:18
Formal Charge:0
Complexity:258
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:5
Feature 3D Donor Count:6
Feature 3D Ring Count:1
Effective Rotor Count:7
Conformer Sampling RMSD:1
CID Conformer Count:114