HRID 1812571als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
Grundinformationen
- CAS
752-56-7- Standard-SMILES
CCCC(=O)OCC(OC(=O)CCC)C(OC(=O)CCC)C(Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21)OC(=O)CCC- InChIKey
MJNIWUJSIGSWKK-UHFFFAOYSA-N- Summenformel
- C33H44N4O10
- Durchschnittliche Molmasse
- 656,7 g/mol
- Monoisotopische Masse
- 656,30574361
Namen und Bezeichner
- Bevorzugter Name
- Riboflavine tetrabutyrate
- IUPAC
- [2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoate
- Lokaler Name
- Riboflavin, 2',3',4',5'-Tetrabutanoat
- Englischer Name
- Riboflavine tetrabutyrate
- Summenformel
- C33H44N4O10
- Molmasse
- 656.72
Namen und Synonyme
Riboflavine tetrabutyrateRibolactEyekasRiboflavin 2,3,4,5-tetrabutyrateRiboflavine 2',3',4',5'-tetrabutanoateRiboflavine butyrateHibon (TN)C33H44N4O10Riboflavin, 2',3',4',5'-tetrabutyrateRiboflavin butyrate (JP15)SCHEMBL182062SCHEMBL29940644
Weitere Namen anzeigen
RIBOFLAVIN TETRABUTYRATEhibonRiboflavinebutyrateGuaiacol Impurity 182,3,4,5-TetrabutyrateVITAMIN B2 TETRABUTYRATERiboflavin Tetrabutyrate >riboflavin,2’,3’,4’,5’-tetrabutyrateriboflavin,2’,3’,4’,5’-tetrabutanoate
CHEBI:169085MJNIWUJSIGSWKK-UHFFFAOYSA-NHMS5085A22MFCD32644640Riboflavine tetrabutyrate, AldrichCPRs6441[2,3,4-tri(butanoyloxy)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)pentyl] butanoateRiboflavine 2',3',4',5'-tetrabutanoate, 9CI
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 179 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 21
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.230
Experimentelle und physikochemische Eigenschaften
Melting Point149 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 149 °C · 149 °C
- Dichte
- 1.25 g/cm3 · 1.250 g/cm3
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Sparingly)
- Aggregatzustand
- Solid
- pka
- 9.83 · 9.83±0.70(Predicted)
- Farbe
- Yellow
- Merck
- 14 · 14,8200
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING
- InChIKey
- MJNIWUJSIGSWKK-FSGGQHMVSA-N
- SMILES
- CC1C(C)=CC2N=C3C(=NC(=O)NC3=O)N(C[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H](OC(=O)CCC)COC(=O)CCC)C=2C=1
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- hs_code
- 2934.99.4400
- RTECS-Nr.
- VJ1755000
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Anbieter47 Anbieter
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北大医药重庆大新药业股份有限公司[email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
Zugehörige Reaktionen
110
HRID 1812572als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812573als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812574als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812575als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812576als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812577als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812578als KatalysatorDataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
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