Cas no 25679-93-0 (1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)-)
25679-93-0 structure
Product Name:1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)-
CAS No:25679-93-0
MF:C6H12N3O4P
MW:221.150941848755
CID:255261
PubChem ID:439398
Update Time:2025-04-19
1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)-
- [(2S)-2-amino-3-(1H-imidazol-5-yl)propyl] dihydrogen phosphate
- (2S)-2-amino-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
- 2-amino-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
- (S)-2-Amino-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate
- DTXSID00948559
- Q27102169
- (2S)-2-amino-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate
- CHEBI:16996
- l-histidinol phosphate
- histidinol-phosphate
- 1H-Imidazole-4-propanol, beta-amino-, dihydrogen phosphate (ester), (S)-
- C01100
- PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER
- SCHEMBL704416
- A05605A5-B21B-458B-8737-148949E06248
- NS00068826
- histidinol-P
- Imidazole-4-propanol-beta-amino-dihydrogen phosphate-L-
- DB03997
- [(2S)-2-amino-3-(1H-imidazol-4-yl)propoxy]phosphonic acid
- 25679-93-0
- 1H-Imidazole-4-propanol, beta-amino-, dihydrogen phosphate (ester), (betaS)- (9CI)
- L-histidinol-phosphate
- 1H-imidazole-5-propanol, beta-amino-, dihydrogen phosphate (ester), (betaS)-
- beta-amino-dihydrogen phosphate (ester) (S)
- Imidazole-4-propanol, beta-amino-, dihydrogen phosphate, L- (8CI)
- L-histidinol-p
- HSA
- Histidinol phosphate
- L-histidinol phosphate anion
-
- Inchi: 1S/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)/t5-/m0/s1
- InChI Key: CWNDERHTHMWBSI-YFKPBYRVSA-N
- SMILES: P(=O)(O)(O)OC[C@H](CC1=CN=CN1)N
Computed Properties
- Exact Mass: 221.05666
- Monoisotopic Mass: 221.057
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 221
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -4.6
- Topological Polar Surface Area: 122?2
Experimental Properties
- Density: 1.581
- Boiling Point: 596.8°C at 760 mmHg
- Flash Point: 314.7°C
- Refractive Index: 1.604
- PSA: 121.46
- LogP: 0.08910
1H-Imidazole-5-propanol,b-amino-, 5-(dihydrogenphosphate), (bS)- Related Literature
-
J. Masschelein,M. Jenner,G. L. Challis Nat. Prod. Rep. 2017 34 712
-
Manuel Montalbán-López,Thomas A. Scott,Sangeetha Ramesh,Imran R. Rahman,Auke J. van Heel,Jakob H. Viel,Vahe Bandarian,Elke Dittmann,Olga Genilloud,Yuki Goto,María José Grande Burgos,Colin Hill,Seokhee Kim,Jesko Koehnke,John A. Latham,A. James Link,Beatriz Martínez,Satish K. Nair,Yvain Nicolet,Sylvie Rebuffat,Hans-Georg Sahl,Dipti Sareen,Eric W. Schmidt,Lutz Schmitt,Konstantin Severinov,Roderich D. Süssmuth,Andrew W. Truman,Huan Wang,Jing-Ke Weng,Gilles P. van Wezel,Qi Zhang,Jin Zhong,J?rn Piel,Douglas A. Mitchell,Oscar P. Kuipers,Wilfred A. van der Donk Nat. Prod. Rep. 2021 38 130
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