AG003U31

32638-88-3 | 3',4',5',6'-Tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide

AG003U31

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CAS Number	32638-88-3
Catalog Number	AG003U31(AGN-PC-0WNOT3)
Chemical Name	3',4',5',6'-Tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide
EC Number	251-134-3
IUPAC Name	1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol
InChI	InChI=1S/C19H12O8S/c20-12-7-5-10-17(15(12)22)26-18-11(6-8-13(21)16(18)23)19(10)9-3-1-2-4-14(9)28(24,25)27-19/h1-8,20-23H
InChI Key	KUQNCHZOCSYKOR-UHFFFAOYSA-N
MDL Number	MFCD00005046
Molecular Formula	C19H12O8S
Molecular Weight	400.3588
SMILES	OC1=C(O)C2=C(C3(C4=C(O2)C(O)=C(O)C=C4)C5=CC=CC=C5S(O3)(=O)=O)C=C1
Synonyms	pyrogallol red, pyrogallol sulfonphthalein, pyrogallolsulfonephthalein, Pyrogallol Red, 32638-88-3, 3',4',5',6'-Tetrahydroxyspiro[benzo[c][1,2]oxathiole-3,9'-xanthene] 1,1-dioxide, Pyrogallol sulfonphthalein, Pyrogallolsulfonephthalein, MFCD00005046, Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 1,1-dioxide, Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',4',5',6'-tetrol, 1,1-dioxide, 85531-30-2, 3172-49-4, C19H12O8S, EINECS 251-134-3, AI3-63037, AC1L3S7U, US8987474, PyrogallolRed, AC1Q6Z69, CHEMBL3692123, DTXSID6067703, SCHEMBL14111955, PyrogallolRed[forProteinResearch], BDBM152156, ZINC4521820, 6504AF, AKOS022172498, ACM3172494, MCULE-9335902108, KS-000012L3, AJ-51460, AK139303, AX8033218, FT-0737495, ST51016145, J-018806, 12,13,14,15-tetrahydroxyspiro[benzo[c]1,2-oxathiolane-3,9'-xanthene]-1,1-dione, 3',4',5',6'-tetrahydroxyspiro[2,1$l^{6}-benzoxathiole-3,9'-xanthene]-1,1-dione, Pyrogallol Red AR 1gm, 1,1-dioxospiro[2,1, CID94437, AR-1L5471, C19-H12-O8-S, Benzenesulfonic acid, 2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)-, Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol 1,1-dioxide, Spiro[3h-2,1-benzoxatiol-3,9'-[9h]xanteno]-3',4',5',6'-tetrol, 1,1-dioxido, 33008-65-0,

Complexity	690
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	400.025g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	400.357g/mol
Monoisotopic Mass	400.025g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	142A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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