(3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-ol - CAS 1355049-94-3

Name: (3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-ol
Brand: BOC Sciences
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Catalog:	BB054489
Product Name:	(3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-ol
CAS:	1355049-94-3
Synonyms:	(3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-ol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	(3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
Molecular Weight:	552.62
Molecular Formula:	C32H32N4O5
Canonical SMILES:	C1=CC=C(C=C1)COCC2C(C(C(O2)(C3=CC=C4N3N=CN=C4N)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI:	InChI=1S/C32H32N4O5/c33-31-26-16-17-28(36(26)35-22-34-31)32(37)30(40-20-25-14-8-3-9-15-25)29(39-19-24-12-6-2-7-13-24)27(41-32)21-38-18-23-10-4-1-5-11-23/h1-17,22,27,29-30,37H,18-21H2,(H2,33,34,35)/t27-,29-,30-,32?/m1/s1
InChI Key:	GFFNZQLCNVVBEE-HQRSTYDCSA-N
Density:	1.31±0.1 g/cm3

GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264+P265, P280, P305+P351+P338, and P337+P317
Signal Word:	Warning

Complexity:	790
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	3
Defined Bond Stereocenter Count:	0
Exact Mass:	552.23727013
Formal Charge:	0
Heavy Atom Count:	41
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	552.23727013
Rotatable Bond Count:	11
Topological Polar Surface Area:	113
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3

(3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)tetrahydrofuran-2-ol - CAS 1355049-94-3

Technical Data

Safety and Hazards

Computed Properties

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