chempirical

Epitalon

C14H22N4O9CAS 307297-39-8390.35 g/mol

Open in Covalent MOL file
ONHOHOONHOOHONHOOHH2N
AmideCarboxylic acidPrimary amine

Properties

Molecular formula
C14H22N4O9
Molar mass
390.35 g/mol
Exact mass
390.1387 Da
logP
-3.16Crippen estimate
Polar surface area
225.2 Ų
H-bond donors / acceptors
7 / 7
Rotatable bonds
12
Stereocentres
S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
307297-39-8
SMILES
C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)O)N
InChIKey
HGHOBRRUMWJWCU-FXQIFTODSA-N
InChI
InChI=1S/C14H22N4O9/c1-6(15)12(25)17-7(2-3-9(19)20)14(27)18-8(4-10(21)22)13(26)16-5-11(23)24/h6-8H,2-5,15H2,1H3,(H,16,26)(H,17,25)(H,18,27)(H,19,20)(H,21,22)(H,23,24)/t6-,7-,8-/m0/s1

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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