(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol

CAS: 31698-14-3

Molecular Formula	`C9H11N3O4`
Molecular Weight	225.2 g/mol
LogP	-2.4
Topological Polar Surface Area	98.4 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	225.07495
Heavy Atoms	16
Complexity	394.0

Chemical Identifiers

CAS Number	31698-14-3
SMILES	`C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N`
InChIKey	`BBDAGFIXKZCXAH-CCXZUQQUSA-N`

📖 Product Overview

(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol (CAS: 31698-14-3) is a chemical compound with molecular formula C9H11N3O4 and molecular weight 225.2 g/mol. Its IUPAC systematic name is (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol. LogP -2.4 Topological Polar Surface Area 98.4 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 225.07495 Heavy Atoms 16 Complexity 394.0 InChI Key: BBDAGFIXKZCXAH-CCXZUQQUSA-N. SMILES: C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N.

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