Rutin Hydrate

Rutin Hydrate
Compound Structure:
Synonyms: Rutin hydrate ;207671-50-9 ;190836-14-7; RUTIN HYDRATE 95 ;Rutinhydrate
Compound ID: NMPC-1456
PubChem ID:

45479757
Molecular Formula: C27H32O17
Canonical SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O.O
InChIKey: PGHSKTKIQIBATG-ZAAWVBGYSA-N
About the compound:

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

628.5 g/mol

Hydrogen Bond Donor Count

11

Hydrogen Bond Acceptor Count

17

Rotatable Bond Count

6

Exact Mass

628.16394955 g/mol

Monoisotopic Mass

628.16394955 g/mol

Topological Polar Surface Area

267Ų

Heavy Atom Count

44

Formal Charge

0

Complexity

1020

Isotope Atom Count

0

Defined Atom Stereocenter Count

10

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

2

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Enantia chlorantha
Download SDF