1alpha,25-Dihydroxyvitamin D2

Ercalcitriol · 1-alpha · H,5αRo 17-6218 · -Hydroxy Vitamin D2 · -Methylandrosterone · H-guaia-6-ene-4β-Methyl Dapagliflozin · -Hydroxy Vitamin D2-d3 · 1Α,25-Dihydroxyvitamin

https://huagongshe.com/de/chemical/9547243

Molekülstruktur von 1alpha,25-Dihydroxyvitamin D2

Identifikatoren & physikalische Daten

CAS No.	60133-18-8
Summenformel	C28H44O3
Durchschnittliche Molmasse	428,6 g/mol
Monoisotopische Masse	428,32904527 g/mol
SMILES	C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O
InChIKey	ZGLHBRQAEXKACO-XJRQOBMKSA-N
PubChem CID	9547243
ChEMBL	CHEMBL4303615
ChEBI	CHEBI:86320
EC No.	634-659-6
DTXSID	DTXSID90429509

Chemische & physikalische Eigenschaften

XLogP	4,9
Polarare Oberfläche (TPSA)	60,7
H-Brücken-Donoren	3
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	31
Formalladung	0
Komplexität	758
Lipide	Lipids -> Sterol Lipids [ST] -> Secosteroids [ST03] -> Vitamin D2 and derivatives [ST0301]
Physical Description	Solid
Siedepunkt	577.7±50.0 °C(Predicted)
Dichte	1.06±0.1 g/cm3(Predicted)
Flammpunkt	14℃
Lagerbedingungen	-20°C
Löslichkeit	Ethanol: 1 mg/ml
pKa (Säurekonstante)	14.43±0.40(Predicted)
Aggregatzustand	Powder
Farbe	White to off-white
Biologische Quelle	synthetic
BRN	5635017
Stabilität	Light sensitive, Temperature sensitive
InChIKey	ZGLHBRQAEXKACO-KYHOFSCESA-N
SMILES	[C@@H]1(O)C/C(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@H](C)/C=C/C(C)C(O)(C)C)/C(=C)[C@@H](O)C1

Sicherheit & Vorschriften

GHS-Einstufung	DangerH301+H311 (97.5%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oralacute toxicity, dermal]P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 3 (100%)
F	8-10-19
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2811 6.1/PG 2
R-Sätze (R)	23/24/25-63-48/25-26-24/25-11
Gefahrensymbole	T,T+,F
Sicherheitshinweise (S)	36/37-45-28-16-7
Lagerklasse	6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Gefahrenklasse	Acute Tox. 2 InhalationAcute Tox. 3 DermalAcute Tox. 3 OralSTOT RE 1 Oral

Anwendungen & Verwendung

Verwenden

The active metabolite of Vitamin D2 (V676040).