211364-69-1
([[1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-YL]OXY]METHYL)([[(PROPAN-2-YLOXY)CARBONYL]OXY]METHOXY)PHOSPHINIC ACID
Name([[1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-YL]OXY]METHYL)([[(PROPAN-2-YLOXY)CARBONYL]OXY]METHOXY)PHOSPHINIC ACID
1Identification
【Name】
([[1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-YL]OXY]METHYL)([[(PROPAN-2-YLOXY)CARBONYL]OXY]METHOXY)PHOSPHINIC ACID
【CAS】
【MDL】
MFCD22683724
【English Synonyms】
【Formula】
C14 H22 N5 O8 P
【MolWeight】
419.329
【Inchi】
InChI=1S/C14H22N5O8P/c1-9(2)27-14(20)24-8-26-28(21,22)25-7-23-10(3)4-19-6-18-11-12(15)16-5-17-13(11)19/h5-6,9-10H,4,7-8H2,1-3H3,(H,21,22)(H2,15,16,17)/t10-/m1/s1
【InChIKey】
InChIKey=RHIQBWBMYSGGCA-SNVBAGLBSA-N
【SMILES】
CC(C)OC(=O)OCOP(=O)(O)OCO[C@H](C)Cn1cnc2c1ncnc2N
【MOL File】
([[1-(6-AMINO-9H-PUR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:13
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([[1-(6-AMINO-9H-PURIN-9-YL)PROPAN-2-YL]OXY]METHYL)([[(PROPAN-2-YLOXY)CARBONYL]OXY]METHOXY)PHOSPHINIC ACID.cml