AG00342D

5301-78-0 | 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide

AG00342D

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CAS Number	5301-78-0
Catalog Number	AG00342D(AGN-PC-0JNPBP)
Chemical Name	2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide
IUPAC Name	(1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methanol
InChI	InChI=1S/C5H9O5P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h6H,1-4H2
InChI Key	YASRHLDAFCMIPB-UHFFFAOYSA-N
MDL Number	MFCD17976574
Molecular Formula	C5H9O5P
Molecular Weight	180.0957
SMILES	P12(OCC(CO1)(CO2)CO)=O
Synonyms	5301-78-0, 4-(Hydroxymethyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-oxide, Pentaerythritol phosphate alcohol, 2,6,7-TRIOXA-1-PHOSPHABICYCLO2.2.2OCTANE-4-METHANOL, 1-OXIDE, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide, CN 1137, BRN 1951494, Pentaerythritol, cyclic phosphate (1:1) (8CI), MFCD01677612, 2,6,7-trioxa-1-phosphabicyclo-2.2.2.-octane-4-methanol 1-oxide, 4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane-1-oxide, 2,6,7-Trioxa-1-phosphabicyclo(2.2.2)octane-4-methanol, 1-oxide, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol, 1-oxide, ACMC-20a1ty, AC1L58DZ, SCHEMBL5555604, CTK8B6333, DTXSID20201057, YASRHLDAFCMIPB-UHFFFAOYSA-N, BCP05526, ZINC3641631, 7507AB, ANW-53300, FCH843900, RW2269, AKOS005137996, GC10184, RL03957, RTX-010124, TRA0058165, KS-000000H7, Pentaerythritol, cyclic phosphate (1:1), AS-10520, CJ-10700, SC-73125, AB0066499, AX8218927, LS-157659, FT-0689985, J-513744, 2,6,7-Trioxa-1-phosphabicyclo2.2.2octane-4-methano, 1-Oxo-1-phospha-2,6,7-trioxabicyclo[2.2.2]octane-4-methanol, 2,6,7-Trioxa-1-phosphabicyclo2.2.2octane-4-methanol,1-oxide, (1-oxo-2,6,7-trioxa-15-phosphabicyclo[2.2.2]octan-4-yl)methanol, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol,1-oxide, 4-(hydroxymethyl)-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-1-one, 4-Hydroxymethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane 1-Oxide, 4-(HYDROXYMETHYL)-2,6,7-TRIOXA-1??-PHOSPHABICYCLO[2.2.2]OCTAN-1-ONE, PEPA, C5H9O5P, (1-oxo-2,6,7-trioxa-1, C5-H9-O5-P, CID199942, ACN-034956, H1548, 2,6,7-Trioxa-1-phosphabicyclo[2,2,2]octane-4-methanol, 1-oxide, 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane-4-methanol 1-oxide 5g, 10242-01-0,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.019g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.096g/mol
Monoisotopic Mass	180.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H413
Packing Group	Ⅲ
Precautionary statements	P273
UN Code	UN 3077

Certificate of Analysis

Lot Number