5-(p-Aminophenyl)-1,2,3,4-tetrahydroxypentane

HCID 3083389

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Basic information

CAS: 144069-91-0
Standard SMILES: Nc1ccc(C[C@@H](O)[C@@H](O)[C@@H](O)CO)cc1
InChIKey: MRNNKNGLQUJDHI-OUAUKWLOSA-N
Molecular formula: C11H17NO4
Average molar mass: 227.26 g/mol
Monoisotopic mass: 227.11575802

Overview

structure given in first source; a structural component of the modified folate in Sulfolobus solfataricus

Names & identifiers

Preferred name: 5-(p-Aminophenyl)-1,2,3,4-tetrahydroxypentane
IUPAC: (2S,3R,4R)-5-(4-aminophenyl)pentane-1,2,3,4-tetrol

Names & synonyms

5-Apthp5-(p-Aminophenyl)-1,2,3,4-tetrahydroxypentaneRefChem:101834144069-91-0N-(N-(N-(N-Acetyl-S-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-D-cysteinyl)-L-valyl)-L-isoleucyl)- (E,E)-L-serineL-Serine, N-(N-(N-(N-acetyl-S-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-D-cysteinyl)-L-valyl)-L-isoleucyl)- (E,E)-DTXSID409321991-(4-Aminophenyl)-1-deoxypentitol5-(4-Aminophenyl)-5-deoxy-D-ribitol

Database identifiers

CAS: 144069-91-0
PubChem CID: 3083389
DTXSID: DTXSID40932199

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 107 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 194

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