(7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol

C5H10O10P2-2 — CID 135075376

IUPAC(7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol
SMILESC[C@@]1(CO)OP(=O)([O-])OOP(=O)([O-])OC[C@H]1O
InChIInChI=1S/C5H12O10P2/c1-5(3-6)4(7)2-12-16(8,9)14-15-17(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2/t4-,5+/m1/s1
InChIKeyLYFGXHIVUJATPN-UHNVWZDZSA-L
MW292.07 g/mol
LogP-1.97
Rot. Bonds1

About (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol

(7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol (PubChem CID 135075376) has the molecular formula C5H10O10P2-2 and a molecular weight of 292.07 g/mol. Its IUPAC name is (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol.

Molecular Properties

Compound Name(7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol
PubChem CID135075376
Molecular FormulaC5H10O10P2-2
Molecular Weight292.07 g/mol
Exact Mass291.98
IUPAC Name(7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol
SMILESC[C@@]1(CO)OP(=O)([O-])OOP(=O)([O-])OC[C@H]1O
InChIInChI=1S/C5H12O10P2/c1-5(3-6)4(7)2-12-16(8,9)14-15-17(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2/t4-,5+/m1/s1
InChIKeyLYFGXHIVUJATPN-UHNVWZDZSA-L
XLogP-1.97
TPSA157.64 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 5-1.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol 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

(2S,3S)-2-(hydroxymethyl)-2,6,6-trimethyloxan-3-ol
CID 23244380
(2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol
CID 57122602
2-[5-(hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl]ethanol
CID 130148007
[(4S,6R)-2,2,4,6-tetramethyl-1,3-dioxan-4-yl]methanol
CID 11469364
(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)methanol
CID 18981617
[(2S,3R)-2-methyl-3-propyloxiran-2-yl]methanol
CID 14959485
[(2R,3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyloxiran-2-yl]methanol
CID 131201511
[(3S)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl]methanol
CID 15172597
[(2S)-2-methoxy-2-oxo-1,2λ5-oxaphospholan-4-yl]methanol
CID 138632639
[(2S,4S)-2,4-dimethyloxetan-2-yl]methanol
CID 131106641
[2,2-dimethyl-5-[(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)oxy]-1,3-dioxolan-4-yl]methanol
CID 70556980
6-(hydroxymethyl)-4,4,6-trimethyloxan-2-ol
CID 86080734

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol?
The IUPAC name of (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol (CID 135075376) is (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol.
What is the SMILES notation for (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol?
The canonical SMILES for (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol is C[C@@]1(CO)OP(=O)([O-])OOP(=O)([O-])OC[C@H]1O.
What is the InChIKey of (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol?
The InChIKey is LYFGXHIVUJATPN-UHNVWZDZSA-L. The full InChI is InChI=1S/C5H12O10P2/c1-5(3-6)4(7)2-12-16(8,9)14-15-17(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2/t4-,5+/m1/s1.
What are the key properties of (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol?
(7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol has a molecular weight of 292.07 g/mol, XLogP of -1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-7-(hydroxymethyl)-7-methyl-2,5-dioxido-2,5-dioxo-1,3,4,6,2λ5,5λ5-tetraoxadiphosphonan-8-ol is sourced from PubChem (CID 135075376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).