[(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate

C13H26O10P- — CID 147813320

IUPAC[(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate
SMILESCOCC(O)C(O)C(O)CO[C@@H]1O[C@H](CO)C(OP(C)(=O)[O-])[C@@H]1C
InChIInChI=1S/C13H27O10P/c1-7-12(23-24(3,18)19)10(4-14)22-13(7)21-6-9(16)11(17)8(15)5-20-2/h7-17H,4-6H2,1-3H3,(H,18,19)/p-1/t7-,8?,9?,10+,11?,12?,13+/m0/s1
InChIKeyHNUOVMIRFNRQPW-XGTWHSAWSA-M
MW373.32 g/mol
LogP-2.35
Rot. Bonds10

About [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate

[(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate (PubChem CID 147813320) has the molecular formula C13H26O10P- and a molecular weight of 373.32 g/mol. Its IUPAC name is [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate.

Molecular Properties

Compound Name[(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate
PubChem CID147813320
Molecular FormulaC13H26O10P-
Molecular Weight373.32 g/mol
Exact Mass373.13
IUPAC Name[(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate
SMILESCOCC(O)C(O)C(O)CO[C@@H]1O[C@H](CO)C(OP(C)(=O)[O-])[C@@H]1C
InChIInChI=1S/C13H27O10P/c1-7-12(23-24(3,18)19)10(4-14)22-13(7)21-6-9(16)11(17)8(15)5-20-2/h7-17H,4-6H2,1-3H3,(H,18,19)/p-1/t7-,8?,9?,10+,11?,12?,13+/m0/s1
InChIKeyHNUOVMIRFNRQPW-XGTWHSAWSA-M
XLogP-2.35
TPSA157.97 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-hydroxy-2-(hydroxymethyl)-5-methyloxolan-3-yl] (2,3,4-trihydroxy-5-methoxypentyl) hydrogen phosphate
CID 20654327
[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-[hydroxy-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentoxy]phosphoryl]oxyoxolan-2-yl]oxypentyl] hydrogen phosphate
CID 171389955
sodium;5-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypentane-1,2,3,4-tetrol;[5-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3,4-trihydroxypentyl] dihydrogen phosphate;[(2R,3R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2,3,4,5-tetrahydroxypentoxy)oxolan-3-yl] dihydrogen phosphate;[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(2,3,4,5-tetrahydroxypentoxy)oxolan-3-yl] dihydrogen phosphate;[(2R,3R,5R)-4-hydroxy-2-(hydroxymethyl)-5-[2,3,4-trihydroxy-5-[hydroxy-[(2R,3R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxyphosphoryl]oxypentoxy]oxolan-3-yl] methyl hydrogen phosphate;hydroxide
CID 159290576
(3R,4R)-1-[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptane-2,3,4,5-tetrol
CID 164799894
(3R,4R)-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
CID 70822967
(2S,3R,4S,5S)-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
CID 158355738
6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
CID 160747634
(2S,3S,4R,5R)-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
CID 98047598
O-methylhydroxylamine;bis((2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal)
CID 87931071
ethane;[(2R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(2-oxoethoxy)oxolan-3-yl] thiophosphoroso hydrogen phosphate;[(2R,5S)-4-hydroxy-2-(hydroxymethyl)-5-thiophosphorosooxyoxolan-3-yl] 2-oxoethyl hydrogen phosphate;methyl-[2,3,4-trihydroxy-5-[(2R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]oxypentoxy]phosphinic acid
CID 90887121
azanium 2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxyethoxy-methylphosphinate
CID 118712214
(2R,3R,4R,5R)-3,6-bis[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]hexane-1,2,4,5-tetrol
CID 91861684

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate?
The IUPAC name of [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate (CID 147813320) is [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate.
What is the SMILES notation for [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate?
The canonical SMILES for [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate is COCC(O)C(O)C(O)CO[C@@H]1O[C@H](CO)C(OP(C)(=O)[O-])[C@@H]1C.
What is the InChIKey of [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate?
The InChIKey is HNUOVMIRFNRQPW-XGTWHSAWSA-M. The full InChI is InChI=1S/C13H27O10P/c1-7-12(23-24(3,18)19)10(4-14)22-13(7)21-6-9(16)11(17)8(15)5-20-2/h7-17H,4-6H2,1-3H3,(H,18,19)/p-1/t7-,8?,9?,10+,11?,12?,13+/m0/s1.
What are the key properties of [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate?
[(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate has a molecular weight of 373.32 g/mol, XLogP of -2.35, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5R)-2-(hydroxymethyl)-4-methyl-5-(2,3,4-trihydroxy-5-methoxypentoxy)oxolan-3-yl]oxy-methylphosphinate is sourced from PubChem (CID 147813320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).