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[(3R,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

ChemBase ID: 321480
Molecular Formular: C17H26N2O5
Molecular Mass: 338.39874
Monoisotopic Mass: 338.18417194
SMILES and InChIs

SMILES:
N1(C(=O)c2oc(cc2)COC)C[C@H]([C@H](C1)CO)CN1CCOCC1
Canonical SMILES:
COCc1ccc(o1)C(=O)N1C[C@H]([C@H](C1)CO)CN1CCOCC1
InChI:
InChI=1S/C17H26N2O5/c1-22-12-15-2-3-16(24-15)17(21)19-9-13(14(10-19)11-20)8-18-4-6-23-7-5-18/h2-3,13-14,20H,4-12H2,1H3/t13-,14-/m1/s1
InChIKey:
DHKPPVYBBZAEOR-ZIAGYGMSSA-N

Cite this record

CBID:321480 http://www.chembase.cn/molecule-321480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(3R,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
IUPAC Traditional name
[(3R,4R)-1-[5-(methoxymethyl)furan-2-carbonyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
Synonyms
[(3R*,4R*)-1-[5-(methoxymethyl)-2-furoyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11157528 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.417322  H Acceptors
H Donor LogD (pH = 5.5) -2.580131 
LogD (pH = 7.4) -1.1928295  Log P -1.0369918 
Molar Refractivity 89.7106 cm3 Polarizability 34.274864 Å3
Polar Surface Area 75.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -1.29  LOG S -1.88 
Polar Surface Area 75.38 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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