3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol

C30H55O40P5 — CID 158327815

About 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol

3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol (PubChem CID 158327815) has the molecular formula C30H55O40P5 and a molecular weight of 1210.60 g/mol. Its IUPAC name is 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol.

Molecular Properties

• Compound Name: 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol
• PubChem CID: 158327815
• Molecular Formula: C30H55O40P5
• Molecular Weight: 1210.60 g/mol
• Exact Mass: 1210.10
• IUPAC Name: 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol
• SMILES: O=P1(O)OC2C(O)C(O)C(O)C(O)C2O1.O=P1(O)OC2C(O)C(O)C(O)C(O)C2OP(=O)(O)OC2C(O)C(O)C(O)C(O)C2O1.O=P1(O)OC2C(O)C(O)C(O)C(O1)C2O.O=P1(O)OC2C(O)C(O)C(O1)C(O)C2O
• InChI: InChI=1S/C12H22O16P2.3C6H11O8P/c13-1-2(14)6(18)10-9(5(1)17)25-29(21,22)27-11-7(19)3(15)4(16)8(20)12(11)28-30(23,24)26-10;7-1-2(8)6-4(10)3(9)5(1)13-15(11,12)14-6;7-1-2(8)5-4(10)6(3(1)9)14-15(11,12)13-5;7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-20H,(H,21,22)(H,23,24);3*1-10H,(H,11,12)
• InChIKey: GPPYSIMBFGLXOH-UHFFFAOYSA-N
• XLogP: -13.36
• TPSA: 683.40 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 35
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1210.60
LogP ≤ 5	-13.36
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol?

The IUPAC name of 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol (CID 158327815) is 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol.

What is the SMILES notation for 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol?

The canonical SMILES for 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol is O=P1(O)OC2C(O)C(O)C(O)C(O)C2O1.O=P1(O)OC2C(O)C(O)C(O)C(O)C2OP(=O)(O)OC2C(O)C(O)C(O)C(O)C2O1.O=P1(O)OC2C(O)C(O)C(O)C(O1)C2O.O=P1(O)OC2C(O)C(O)C(O1)C(O)C2O.

What is the InChIKey of 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol?

The InChIKey is GPPYSIMBFGLXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O16P2.3C6H11O8P/c13-1-2(14)6(18)10-9(5(1)17)25-29(21,22)27-11-7(19)3(15)4(16)8(20)12(11)28-30(23,24)26-10;7-1-2(8)6-4(10)3(9)5(1)13-15(11,12)14-6;7-1-2(8)5-4(10)6(3(1)9)14-15(11,12)13-5;7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-20H,(H,21,22)(H,23,24);3*1-10H,(H,11,12).

What are the key properties of 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol?

3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol has a molecular weight of 1210.60 g/mol, XLogP of -13.36, 0 rotatable bonds, 25 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3,12-dihydroxy-3,12-dioxo-2,4,11,13-tetraoxa-3λ5,12λ5-diphosphatricyclo[12.4.0.05,10]octadecane-6,7,8,9,15,16,17,18-octol;2-hydroxy-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxaphosphole-4,5,6,7-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.2.2]nonane-6,7,8,9-tetrol;3-hydroxy-3-oxo-2,4-dioxa-3λ5-phosphabicyclo[3.3.1]nonane-6,7,8,9-tetrol is sourced from PubChem (CID 158327815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).