[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid

C54H111O36P9 — CID 161335598

IUPAC[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid
SMILESCC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C.CC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C.CC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C
InChIInChI=1S/C24H48O17P4.C18H37O12P3.C12H26O7P2/c1-14(2)42(25,26)33-11-22-20(9-17(6)36-22)40-45(31,32)35-13-24-21(10-18(7)38-24)41-44(29,30)34-12-23-19(8-16(5)37-23)39-43(27,28)15(3)4;1-11(2)31(19,20)25-9-17-16(8-14(6)27-17)30-33(23,24)26-10-18-15(7-13(5)28-18)29-32(21,22)12(3)4;1-8(2)20(13,14)17-7-12-11(6-10(5)18-12)19-21(15,16)9(3)4/h14-24H,8-13H2,1-7H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32);11-18H,7-10H2,1-6H3,(H,19,20)(H,21,22)(H,23,24);8-12H,6-7H2,1-5H3,(H,13,14)(H,15,16)/t16-,17-,18-,19-,20-,21-,22+,23+,24+;13-,14-,15-,16-,17+,18+;10-,11-,12+/m000/s1
InChIKeyVLZKVVGQRPXRLM-ITAZRXJJSA-N
MW1615.21 g/mol
LogP10.30
Rot. Bonds36

About [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid

[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid (PubChem CID 161335598) has the molecular formula C54H111O36P9 and a molecular weight of 1615.21 g/mol. Its IUPAC name is [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid.

Molecular Properties

Compound Name[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid
PubChem CID161335598
Molecular FormulaC54H111O36P9
Molecular Weight1615.21 g/mol
Exact Mass1614.45
IUPAC Name[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid
SMILESCC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C.CC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C.CC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C
InChIInChI=1S/C24H48O17P4.C18H37O12P3.C12H26O7P2/c1-14(2)42(25,26)33-11-22-20(9-17(6)36-22)40-45(31,32)35-13-24-21(10-18(7)38-24)41-44(29,30)34-12-23-19(8-16(5)37-23)39-43(27,28)15(3)4;1-11(2)31(19,20)25-9-17-16(8-14(6)27-17)30-33(23,24)26-10-18-15(7-13(5)28-18)29-32(21,22)12(3)4;1-8(2)20(13,14)17-7-12-11(6-10(5)18-12)19-21(15,16)9(3)4/h14-24H,8-13H2,1-7H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32);11-18H,7-10H2,1-6H3,(H,19,20)(H,21,22)(H,23,24);8-12H,6-7H2,1-5H3,(H,13,14)(H,15,16)/t16-,17-,18-,19-,20-,21-,22+,23+,24+;13-,14-,15-,16-,17+,18+;10-,11-,12+/m000/s1
InChIKeyVLZKVVGQRPXRLM-ITAZRXJJSA-N
XLogP10.30
TPSA501.84 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms99
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001615.21
LogP ≤ 510.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid?
The IUPAC name of [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid (CID 161335598) is [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid.
What is the SMILES notation for [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid?
The canonical SMILES for [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid is CC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C.CC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C.CC(C)P(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)OC[C@H]1O[C@@H](C)C[C@@H]1OP(=O)(O)C(C)C.
What is the InChIKey of [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid?
The InChIKey is VLZKVVGQRPXRLM-ITAZRXJJSA-N. The full InChI is InChI=1S/C24H48O17P4.C18H37O12P3.C12H26O7P2/c1-14(2)42(25,26)33-11-22-20(9-17(6)36-22)40-45(31,32)35-13-24-21(10-18(7)38-24)41-44(29,30)34-12-23-19(8-16(5)37-23)39-43(27,28)15(3)4;1-11(2)31(19,20)25-9-17-16(8-14(6)27-17)30-33(23,24)26-10-18-15(7-13(5)28-18)29-32(21,22)12(3)4;1-8(2)20(13,14)17-7-12-11(6-10(5)18-12)19-21(15,16)9(3)4/h14-24H,8-13H2,1-7H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32);11-18H,7-10H2,1-6H3,(H,19,20)(H,21,22)(H,23,24);8-12H,6-7H2,1-5H3,(H,13,14)(H,15,16)/t16-,17-,18-,19-,20-,21-,22+,23+,24+;13-,14-,15-,16-,17+,18+;10-,11-,12+/m000/s1.
What are the key properties of [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid?
[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid has a molecular weight of 1615.21 g/mol, XLogP of 10.30, 36 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy-[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxyphosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid;[(2R,3S,5S)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]-5-methyloxolan-3-yl]oxy-propan-2-ylphosphinic acid is sourced from PubChem (CID 161335598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).